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canSAR1064196
FEATURES
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NAMES
    SMILES
    CC(C)(C)N1C[C@H](c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)[C@@H](C(=O)Nc2ccc(Cl)cc2)C1
    InChI
    InChI=1S/C30H33ClN4O2/c1-30(2,3)35-18-24(25(19-35)29(37)33-23-15-13-22(31)14-16-23)21-11-8-20(9-12-21)10-17-28(36)34-27-7-5-4-6-26(27)32/h4-17,24-25H,18-19,32H2,1-3H3,(H,33,37)(H,34,36)/b17-10+/t24-,25+/m1/s1
    MOLECULAR FORMULA
    C30H33ClN4O2
    CROSS REFERENCES
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    canSAR1064196

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.23
    AlogP 6.03
    HBond donors 4
    HBond acceptors 6
    Atoms 70
    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 canSAR1064196.