canSAR1086266
FEATURES
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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)c1cn(C(=S)Nc2ccc(C)cc2)nc14
    InChI
    InChI=1S/C31H41N3O2S/c1-6-36-26(35)30(5)15-7-14-29(4)23(30)13-17-31-19-28(3,16-12-24(29)31)25-22(31)18-34(33-25)27(37)32-21-10-8-20(2)9-11-21/h8-11,18,23-24H,6-7,12-17,19H2,1-5H3,(H,32,37)/t23-,24-,28-,29+,30+,31+/m0/s1
    MOLECULAR FORMULA
    C31H41N3O2S
    CROSS REFERENCES
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    canSAR1086266
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight519.29
    AlogP6.92
    HBond donors1
    HBond acceptors5
    Atoms78
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1086266.