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canSAR1142744
FEATURES
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NAMES
    SMILES
    CC1=C(C(=O)Nc2ccccc2C)C(c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc3ccccc3c2)N1
    InChI
    InChI=1S/C31H26N4O3S/c1-19-8-3-6-11-25(19)35-30(37)28-20(2)33-31(24(17-32)29(28)26-12-7-15-38-26)39-18-27(36)34-23-14-13-21-9-4-5-10-22(21)16-23/h3-16,29,33H,18H2,1-2H3,(H,34,36)(H,35,37)
    MOLECULAR FORMULA
    C31H26N4O3S
    CROSS REFERENCES
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    canSAR1142744

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 534.17
    AlogP 6.45
    HBond donors 3
    HBond acceptors 7
    Atoms 65
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1142744.