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canSAR831306
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NAMES
    SMILES
    Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccccc1Cl)c1ccccc1
    InChI
    InChI=1S/C29H37ClN6O/c1-20(2)28-33-32-21(3)36(28)25-18-23-14-15-24(19-25)34(23)16-9-17-35(22-10-5-4-6-11-22)29(37)31-27-13-8-7-12-26(27)30/h4-8,10-13,20,23-25H,9,14-19H2,1-3H3,(H,31,37)/t23-,24+,25+
    MOLECULAR FORMULA
    C29H37ClN6O
    CROSS REFERENCES
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    canSAR831306

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.27
    AlogP 6.66
    HBond donors 1
    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 canSAR831306.