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MDA-N

Name And Classification

ID:  ALA614078

Type:  CELL-LINE

Organism:  Homo sapiens

Species Group:  Homo sapiens

Name:  MDA-N

Description:  MDA-N (Breast carcinoma cells)

Source tissue:  Breast carcinoma cells

Source Organism:  Homo sapiens

Source Tax ID:  9606

Cellosaurus:  CVCL_1910

Associated Active Ligands

  1. Tetrahydrouridine
    ALA9871

    Name:
    SID399556

    Mol. Formula:
    C10H12N5O6P

    M.W.:
    329.21

    Type:
    Small molecule

    AlogP:
    -0.82

    Polar Surface Area:
    154.84

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  2. Tetrahydrouridine
    ALA14055

    Name:
    SID577095

    Mol. Formula:
    C37H49N7O9S

    M.W.:
    767.91

    Type:
    Small molecule

    AlogP:
    1.52

    Polar Surface Area:
    250.91

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  3. Tetrahydrouridine
    ALA18545

    Name:
    SID481668

    Mol. Formula:
    C9H14N4O3

    M.W.:
    226.24

    Type:
    Small molecule

    AlogP:
    -1.13

    Polar Surface Area:
    121.10

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  4. Tetrahydrouridine
    ALA598

    Name:
    SID417267

    Mol. Formula:
    C10H12FN5O4

    M.W.:
    285.24

    Type:
    Small molecule

    AlogP:
    -1.84

    Polar Surface Area:
    139.54

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  5. Tetrahydrouridine
    ALA18537

    Name:
    SID484406

    Mol. Formula:
    C9H13N3O3

    M.W.:
    211.22

    Type:
    Small molecule

    AlogP:
    -0.50

    Polar Surface Area:
    90.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  6. Tetrahydrouridine
    ALA19062

    Name:
    SID517729

    Mol. Formula:
    C10H13FN2O5

    M.W.:
    260.22

    Type:
    Small molecule

    AlogP:
    -1.57

    Polar Surface Area:
    104.55

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  7. Tetrahydrouridine
    ALA26159

    Name:
    SID530183

    Mol. Formula:
    C17H22N2O3

    M.W.:
    302.37

    Type:
    Small molecule

    AlogP:
    2.58

    Polar Surface Area:
    69.64

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  8. Tetrahydrouridine
    ALA33376

    Name:
    SID486200

    Mol. Formula:
    C15H21NO

    M.W.:
    231.34

    Type:
    Small molecule

    AlogP:
    2.55

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    0

    Passes Ro3:
    Y

    QED Weighted:
    0.74

    DETAILS
  9. Tetrahydrouridine
    ALA789

    Name:
    SID99511

    Mol. Formula:
    C15H12I3NO4

    M.W.:
    650.98

    Type:
    Small molecule

    AlogP:
    3.95

    Polar Surface Area:
    92.78

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  10. Tetrahydrouridine
    ALA296222

    Name:
    SID104490

    Mol. Formula:
    C12H17N5O5

    M.W.:
    311.30

    Type:
    Small molecule

    AlogP:
    -2.16

    Polar Surface Area:
    145.78

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    0

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS