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canSAR1093396
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NAMES
    SMILES
    CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CON(C(=S)Nc2cccc(C)c2)[C@@H]14
    InChI
    InChI=1S/C31H44N2O3S/c1-6-35-26(34)30(5)14-8-13-29(4)23(30)12-16-31-19-28(3,15-11-24(29)31)25-22(31)18-36-33(25)27(37)32-21-10-7-9-20(2)17-21/h7,9-10,17,22-25H,6,8,11-16,18-19H2,1-5H3,(H,32,37)/t22-,23+,24+,25+,28+,29-,30-,31-/m1/s1
    MOLECULAR FORMULA
    C31H44N2O3S
    CROSS REFERENCES
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    canSAR1093396

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 524.31
    AlogP 6.90
    HBond donors 1
    HBond acceptors 5
    Atoms 81
    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 canSAR1093396.