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canSAR1766274
FEATURES
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NAMES
    SMILES
    CCCOc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)C(C2)N(CC2CC2)CC[C@]314
    InChI
    InChI=1S/C32H35ClN2O4/c1-2-17-38-25-11-8-22-18-26-32(34-27(37)12-7-20-5-9-23(33)10-6-20)14-13-24(36)30-31(32,28(22)29(25)39-30)15-16-35(26)19-21-3-4-21/h5-12,21,26,30H,2-4,13-19H2,1H3,(H,34,37)/b12-7+/t26?,30-,31-,32+/m0/s1
    MOLECULAR FORMULA
    C32H35ClN2O4
    CROSS REFERENCES
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    canSAR1766274

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 546.23
    AlogP 5.10
    HBond donors 1
    HBond acceptors 6
    Atoms 74
    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 canSAR1766274.