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canSAR1127938
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NAMES
    SMILES
    COc1cc(-c2ccccc2)nc2cc(-c3nc([C@H]4C[C@@H](N5CCN(C)CC5)C4)n4ccnc(N)c34)ccc12
    InChI
    InChI=1S/C31H33N7O/c1-36-12-14-37(15-13-36)23-16-22(17-23)31-35-28(29-30(32)33-10-11-38(29)31)21-8-9-24-26(18-21)34-25(19-27(24)39-2)20-6-4-3-5-7-20/h3-11,18-19,22-23H,12-17H2,1-2H3,(H2,32,33)/t22-,23+
    MOLECULAR FORMULA
    C31H33N7O
    CROSS REFERENCES
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    canSAR1127938

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 519.27
    AlogP 4.70
    HBond donors 2
    HBond acceptors 8
    Atoms 72
    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 canSAR1127938.