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canSAR2017763
FEATURES
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NAMES
    SMILES
    COc1ccc2c(OCC[C@@H]3NC(=O)N(C)CCCC/C=C\[C@@H]4C[C@@]4(C(=O)NS(=O)(=O)C4(C#N)CC4)NC3=O)cc(-c3nc(C(C)C)cs3)nc2c1Cl
    InChI
    InChI=1S/C36H42ClN7O7S2/c1-21(2)26-19-52-32(40-26)25-17-28(23-10-11-27(50-4)29(37)30(23)39-25)51-16-12-24-31(45)42-36(33(46)43-53(48,49)35(20-38)13-14-35)18-22(36)9-7-5-6-8-15-44(3)34(47)41-24/h7,9-11,17,19,21-22,24H,5-6,8,12-16,18H2,1-4H3,(H,41,47)(H,42,45)(H,43,46)/b9-7-/t22-,24+,36-/m1/s1
    MOLECULAR FORMULA
    C36H42ClN7O7S2
    CROSS REFERENCES
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    canSAR2017763

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 783.23
    AlogP 5.04
    HBond donors 3
    HBond acceptors 14
    Atoms 95
    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 canSAR2017763.