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canSAR549376
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NAMES
    SMILES
    Cc1cc2c(/C=C/C(=O)NC3CCC(CCN4CCc5ccc(C#N)cc5CC4)CC3)cccc2[nH]1
    InChI
    InChI=1S/C31H36N4O/c1-22-19-29-26(3-2-4-30(29)33-22)9-12-31(36)34-28-10-6-23(7-11-28)13-16-35-17-14-25-8-5-24(21-32)20-27(25)15-18-35/h2-5,8-9,12,19-20,23,28,33H,6-7,10-11,13-18H2,1H3,(H,34,36)/b12-9+
    MOLECULAR FORMULA
    C31H36N4O
    CROSS REFERENCES
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    canSAR549376

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 480.29
    AlogP 5.53
    HBond donors 2
    HBond acceptors 5
    Atoms 72
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR549376.