canSAR2095704
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)[C@H](CO)[C@H]4NC(=S)Nc1ccccc1Br
    InChI
    InChI=1S/C30H43BrN2O3S/c1-5-36-25(35)29(4)14-8-13-28(3)22(29)12-16-30-18-27(2,15-11-23(28)30)24(19(30)17-34)33-26(37)32-21-10-7-6-9-20(21)31/h6-7,9-10,19,22-24,34H,5,8,11-18H2,1-4H3,(H2,32,33,37)/t19-,22+,23+,24-,27+,28-,29-,30-/m1/s1
    MOLECULAR FORMULA
    C30H43BrN2O3S
    CROSS REFERENCES
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    canSAR2095704
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight590.22
    AlogP6.69
    HBond donors3
    HBond acceptors5
    Atoms80
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095704.