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2008

Name And Classification

ID:  ALA612818

Type:  CELL-LINE

Organism:  Homo sapiens

Species Group:  Homo sapiens

Name:  2008

Description:  2008 (Ovarian carcinoma cells)

Source tissue:  Ovarian carcinoma cells

Source Organism:  Homo sapiens

Source Tax ID:  9606

Cellosaurus:  CVCL_0473

Associated Recombinant Proteins

NameSpecification and purityExpression systemProtein labelActivityView Details

Associated Active Ligands

  1. Tetrahydrouridine
    ALA264657

    Name:
    Lipopurealin C

    Mol. Formula:
    C33H52Br2N6O4

    M.W.:
    756.62

    Type:
    Small molecule

    AlogP:
    7.61

    Polar Surface Area:
    154.72

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  2. Tetrahydrouridine
    ALA204484

    Name:
    Purealidin A

    Mol. Formula:
    C17H22Br2N6O3

    M.W.:
    518.21

    Type:
    Small molecule

    AlogP:
    1.98

    Polar Surface Area:
    151.64

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  3. Tetrahydrouridine
    ALA206161

    Name:
    Purealin

    Mol. Formula:
    C27H29Br4N7O7

    M.W.:
    883.19

    Type:
    Small molecule

    AlogP:
    3.55

    Polar Surface Area:
    205.77

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  4. Tetrahydrouridine
    ALA206373

    Name:
    Lipopurealin A

    Mol. Formula:
    C31H48Br2N6O4

    M.W.:
    728.57

    Type:
    Small molecule

    AlogP:
    6.83

    Polar Surface Area:
    154.72

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  5. Tetrahydrouridine
    ALA262046

    Name:
    Lipopurealin B

    Mol. Formula:
    C32H50Br2N6O4

    M.W.:
    742.60

    Type:
    Small molecule

    AlogP:
    7.08

    Polar Surface Area:
    154.72

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  6. Tetrahydrouridine
    ALA516282

    Name:
    1,7-bis[3-methoxy-4-acetylphenyl]hepta-1,6-diene-3,5-dione

    Mol. Formula:
    C25H24O6

    M.W.:
    420.46

    Type:
    Small molecule

    AlogP:
    4.36

    Polar Surface Area:
    86.74

    HBA:
    6

    HBD:
    0

    #RO5 Violations:
    0

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  7. Tetrahydrouridine
    ALA450381

    Name:
    1,7-bis(3-hydroxy-4-beta-D-glucopyranos-1-yloxophenyl)hepta-1,6-diene-3,5-dione

    Mol. Formula:
    C31H36O16

    M.W.:
    664.61

    Type:
    Small molecule

    AlogP:
    -2.29

    Polar Surface Area:
    273.36

    HBA:
    16

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  8. Tetrahydrouridine
    ALA558985

    Name:
    3-[4-(3-aminopropoxy)-3,5-dibromophenyl]-2-hydroxyimino-N-[2-(4-methoxyphenyl)-ethyl]propanamide hydrochloride

    Mol. Formula:
    C21H26Br2ClN3O4

    M.W.:
    579.72

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    106.17

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  9. Tetrahydrouridine
    ALA537643

    Name:
    3-[4-(3-aminopropoxy)-3-bromophenyl]-N-[2-(4-chlorophenyl)ethyl]-2-hydroxyiminopropanamide hydrochloride

    Mol. Formula:
    C20H24BrCl2N3O3

    M.W.:
    505.24

    Type:
    Small molecule

    AlogP:
    3.56

    Polar Surface Area:
    96.94

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  10. Tetrahydrouridine
    ALA558001

    Name:
    3-[4-(3-aminopropoxy)-3,5-dibromophenyl]-2-hydroxyimino-N-phenethylpropanamide hydrochloride

    Mol. Formula:
    C20H24Br2ClN3O3

    M.W.:
    549.69

    Type:
    Small molecule

    AlogP:
    3.67

    Polar Surface Area:
    96.94

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS