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canSAR733283
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NAMES
    SMILES
    Cc1ccc2c(NCc3ccc(NC(=O)C4CCN(Cc5ccc(Cl)cc5)CC4)cc3)nc(N(C)C)nc2c1
    InChI
    InChI=1S/C31H35ClN6O/c1-21-4-13-27-28(18-21)35-31(37(2)3)36-29(27)33-19-22-7-11-26(12-8-22)34-30(39)24-14-16-38(17-15-24)20-23-5-9-25(32)10-6-23/h4-13,18,24H,14-17,19-20H2,1-3H3,(H,34,39)(H,33,35,36)
    MOLECULAR FORMULA
    C31H35ClN6O
    CROSS REFERENCES
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    canSAR733283

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.26
    AlogP 6.12
    HBond donors 2
    HBond acceptors 7
    Atoms 74
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR733283.