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canSAR830774
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NAMES
    SMILES
    Cn1nnnc1CC1(CC(C)(C)C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1
    InChI
    InChI=1S/C32H42ClN7O2/c1-31(2,3)21-32(19-28-36-37-38-39(28)4)13-15-40(16-14-32)30(42)27(17-22-9-11-25(33)12-10-22)35-29(41)26-18-23-7-5-6-8-24(23)20-34-26/h5-12,26-27,34H,13-21H2,1-4H3,(H,35,41)/t26-,27+/m1/s1
    MOLECULAR FORMULA
    C32H42ClN7O2
    CROSS REFERENCES
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    canSAR830774

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 591.31
    AlogP 3.89
    HBond donors 2
    HBond acceptors 9
    Atoms 84
    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 canSAR830774.