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canSAR1012691
FEATURES
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NAMES
    SMILES
    Oc1c([C@H](Nc2ccccn2)c2ccccc2)cc(Cl)c2cccnc12
    InChI
    InChI=1S/C21H16ClN3O/c22-17-13-16(21(26)20-15(17)9-6-12-24-20)19(14-7-2-1-3-8-14)25-18-10-4-5-11-23-18/h1-13,19,26H,(H,23,25)/t19-/m1/s1
    MOLECULAR FORMULA
    C21H16ClN3O
    CROSS REFERENCES
    1012691 logo

    canSAR1012691

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 361.10
    AlogP 5.19
    HBond donors 2
    HBond acceptors 4
    Atoms 42
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1012691.