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Compounds

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  1. ALA5270549

    Name:
    4-((2-chlorophenyl)amino)-6-((6-methylpyridin-2-yl)amino)nicotinamide

    Mol. Formula:
    C18H16ClN5O

    M.W.:
    353.81

    Type:
    ---

    AlogP:
    4.02

    Polar Surface Area:
    92.93

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  2. ALA5269603

    Name:
    4-((2-chlorophenyl)amino)-6-((6-methoxypyridin-2-yl)amino)nicotinamide

    Mol. Formula:
    C18H16ClN5O2

    M.W.:
    369.81

    Type:
    ---

    AlogP:
    3.72

    Polar Surface Area:
    102.16

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  3. ALA5268459

    Name:
    4-((2-chlorophenyl)amino)-6-((5-hydroxypyridin-2-yl)amino)nicotinamide

    Mol. Formula:
    C17H14ClN5O2

    M.W.:
    355.79

    Type:
    ---

    AlogP:
    3.42

    Polar Surface Area:
    113.16

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  4. ALA5279787

    Name:
    6-((5-carbamoyl-4-((2-chlorophenyl)amino)pyridin-2-yl)amino)pyridin-2-yl etShow More⌵

    Mol. Formula:
    C20H18ClN5O4

    M.W.:
    427.85

    Type:
    ---

    AlogP:
    4.25

    Polar Surface Area:
    128.46

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  5. ALA5077096

    Name:
    8-(2-(1-(difluoromethyl)-1H-pyrazol-4-ylamino)-5-methylpyrimidin-4-yl)-2,8-Show More⌵

    Mol. Formula:
    C17H21F2N7O

    M.W.:
    377.40

    79  activity values

    22   unique targets

    Type:
    Unknown

    AlogP:
    2.23

    Polar Surface Area:
    87.97

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  6. ALA4587924

    Name:
    4-((3-Cyano-2-methoxyphenyl)amino)-6-((5-fluoropyridin-2-yl)-amino)-N-methyShow More⌵

    Mol. Formula:
    C20H17FN6O2

    M.W.:
    392.39

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    3.34

    Polar Surface Area:
    111.96

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  7. ALA4582205

    Name:
    4-((3-Carbamoyl-2-methoxyphenyl)amino)-6-((5-fluoropyridin-2-yl)amino)-N-meShow More⌵

    Mol. Formula:
    C20H19FN6O3

    M.W.:
    410.41

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    2.57

    Polar Surface Area:
    131.26

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  8. ALA4581296

    Name:
    4-(4-Carbamoyl-2-methoxyphenylamino)-6-(5-fluoropyridin-2-ylamino)-N-methylShow More⌵

    Mol. Formula:
    C20H19FN6O3

    M.W.:
    410.41

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    2.57

    Polar Surface Area:
    131.26

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  9. ALA4580625

    Name:
    6-((2,6-Dimethylpyrimidin-4-yl)amino)-4-((2-methoxy-3-(1-methyl-1H-1,2,4-trShow More⌵

    Mol. Formula:
    C23H25N9O2

    M.W.:
    459.51

    6  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    3.14

    Polar Surface Area:
    131.77

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  10. ALA4578980

    Name:
    6-((5-Fluoro-4-methylpyridin-2-yl)amino)-4-((2-methoxy-3-((2-morpholinoethyShow More⌵

    Mol. Formula:
    C27H32FN7O4

    M.W.:
    537.60

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    2.84

    Polar Surface Area:
    129.74

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  11. ALA4577224

    Name:
    4-((3-(Dimethylcarbamoyl)-2-methoxyphenyl)amino)-6-((5-fluoro-4-methylpyridShow More⌵

    Mol. Formula:
    C23H25FN6O3

    M.W.:
    452.49

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    3.48

    Polar Surface Area:
    108.48

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  12. ALA4572855

    Name:
    6-((5-Fluoro-4-methylpyridin-2-yl)amino)-4-((2-methoxy-3-(1H-1,2,4-triazol-Show More⌵

    Mol. Formula:
    C22H21FN8O2

    M.W.:
    448.46

    4  activity values

    4   unique targets

    Type:
    Unknown

    AlogP:
    3.56

    Polar Surface Area:
    129.74

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  13. ALA4572426

    Name:
    6-((5-Fluoro-4-methylpyridin-2-yl)amino)-4-((2-methoxy-3-(1-methyl-1H-pyrazShow More⌵

    Mol. Formula:
    C24H24FN7O2

    M.W.:
    461.50

    4  activity values

    4   unique targets

    Type:
    Unknown

    AlogP:
    4.18

    Polar Surface Area:
    105.99

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  14. ALA4571117

    Name:
    6-(Cyclopropanecarboxamido)-4-((2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-ylShow More⌵

    Mol. Formula:
    C21H23N7O3

    M.W.:
    424.48

    7  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    2.34

    Polar Surface Area:
    123.06

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  15. ALA4566158

    Name:
    6-((5-Fluoro-4-methylpyridin-2-yl)amino)-4-((2-methoxy-3-(1-methyl-1H-pyrazShow More⌵

    Mol. Formula:
    C24H24FN7O2

    M.W.:
    461.50

    4  activity values

    4   unique targets

    Type:
    Unknown

    AlogP:
    4.18

    Polar Surface Area:
    105.99

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  16. ALA4565054

    Name:
    6-((4,5-Dimethylpyridin-2-yl)amino)-4-((2-methoxy-3-(1-methyl-1H-1,2,4-triaShow More⌵

    Mol. Formula:
    C23H23FN8O2

    M.W.:
    462.49

    4  activity values

    4   unique targets

    Type:
    Unknown

    AlogP:
    3.58

    Polar Surface Area:
    118.88

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  17. ALA4559585

    Name:
    4-((2-Methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)amino)-N-methyl-6-((Show More⌵

    Mol. Formula:
    C23H21F3N8O2

    M.W.:
    498.47

    6  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    4.15

    Polar Surface Area:
    118.88

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  18. ALA4557190

    Name:
    6-((5-Fluoro-4-methylpyridin-2-yl)amino)-4-((2-methoxy-3-(1-methyl-1H-1,2,4Show More⌵

    Mol. Formula:
    C23H23FN8O2

    M.W.:
    462.49

    5  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    3.58

    Polar Surface Area:
    118.88

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  19. ALA4543984

    Name:
    6-((5-Fluoro-4-methylpyridin-2-yl)amino)-4-((2-methoxy-3-(1,3,4-oxadiazol-2Show More⌵

    Mol. Formula:
    C22H20FN7O3

    M.W.:
    449.45

    4  activity values

    4   unique targets

    Type:
    Unknown

    AlogP:
    3.83

    Polar Surface Area:
    127.09

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  20. ALA4543090

    Name:
    6-((5-Fluoropyridin-2-yl)amino)-4-((3-(methylcarbamoyl)-phenyl)-amino)-N-meShow More⌵

    Mol. Formula:
    C20H19FN6O2

    M.W.:
    394.41

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    2.82

    Polar Surface Area:
    108.04

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
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