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AGS

Name And Classification

ID:  ALA613860

Type:  CELL-LINE

Organism:  Homo sapiens

Species Group:  Homo sapiens

Name:  AGS

Description:  AGS (Gastric adenocarcinoma cells)

Source tissue:  Gastric adenocarcinoma cells

Source Organism:  Homo sapiens

Source Tax ID:  9606

Cell Line Ontology:  CLO_0001686

Experimental Factor Ontology:  EFO_0002109

Cellosaurus:  CVCL_0139

LiNCS Project:  LCL-1893

Associated Active Ligands

  1. Tetrahydrouridine
    ALA96545

    Name:
    OSW-1 analogue

    Mol. Formula:
    C43H60O15

    M.W.:
    816.94

    Type:
    Small molecule

    AlogP:
    2.46

    Polar Surface Area:
    216.97

    HBA:
    15

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  2. Tetrahydrouridine
    ALA262508

    Name:
    OSW-1 analogue

    Mol. Formula:
    C47H68O15

    M.W.:
    873.05

    Type:
    Small molecule

    AlogP:
    3.88

    Polar Surface Area:
    216.97

    HBA:
    15

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  3. Tetrahydrouridine
    ALA327536

    Name:
    OSW-1 analogue

    Mol. Formula:
    C47H70O14

    M.W.:
    859.06

    Type:
    Small molecule

    AlogP:
    4.70

    Polar Surface Area:
    199.90

    HBA:
    14

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  4. Tetrahydrouridine
    ALA92531

    Name:
    OSW-1 analogue

    Mol. Formula:
    C47H70O15

    M.W.:
    875.06

    Type:
    Small molecule

    AlogP:
    3.67

    Polar Surface Area:
    220.13

    HBA:
    15

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  5. Tetrahydrouridine
    ALA443535

    Name:
    OSW-1 analogue

    Mol. Formula:
    C45H64O15

    M.W.:
    844.99

    Type:
    Small molecule

    AlogP:
    3.24

    Polar Surface Area:
    216.97

    HBA:
    15

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  6. Tetrahydrouridine
    ALA226604

    Name:
    (2R,3S)-2-aminododecan-3ol

    Mol. Formula:
    C12H27NO

    M.W.:
    201.35

    Type:
    Small molecule

    AlogP:
    2.84

    Polar Surface Area:
    46.25

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  7. Tetrahydrouridine
    ALA387845

    Name:
    N-((2R,3S)-3-hydroxydodecan-2-yl)acetamide

    Mol. Formula:
    C14H29NO2

    M.W.:
    243.39

    Type:
    Small molecule

    AlogP:
    3.01

    Polar Surface Area:
    49.33

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    0

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  8. Tetrahydrouridine
    ALA413788

    Name:
    (2R,3S)-2-aminododecan-3-yl acetate

    Mol. Formula:
    C14H29NO2

    M.W.:
    243.39

    Type:
    Small molecule

    AlogP:
    3.41

    Polar Surface Area:
    52.32

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  9. Tetrahydrouridine
    ALA486985

    Name:
    16alpha-hydroxycleroda-3,13-dien-15-16-olide

    Mol. Formula:
    C20H30O3

    M.W.:
    318.46

    Type:
    Small molecule

    AlogP:
    4.37

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  10. Tetrahydrouridine
    ALA520552

    Name:
    3beta,5beta,16alpha-trihydroxyhalima-13(14)-en-15,16-olide

    Mol. Formula:
    C20H32O5

    M.W.:
    352.47

    Type:
    Small molecule

    AlogP:
    2.53

    Polar Surface Area:
    86.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    0

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS