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canSAR987316
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NAMES
    SMILES
    C=C1C[C@@]2(CC#N)CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)O)[C@@H]2C[C@H]1Cl
    InChI
    InChI=1S/C20H28ClNO2/c1-13-12-20(9-10-22)8-5-15-18(2,16(20)11-14(13)21)6-4-7-19(15,3)17(23)24/h14-16H,1,4-9,11-12H2,2-3H3,(H,23,24)/t14-,15+,16+,18-,19-,20+/m1/s1
    MOLECULAR FORMULA
    C20H28ClNO2
    CROSS REFERENCES
    987316 logo

    canSAR987316

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 349.18
    AlogP 5.15
    HBond donors 1
    HBond acceptors 3
    Atoms 52
    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 canSAR987316.