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canSAR1130227
FEATURES
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NAMES
    SMILES
    C=C1[C@H]2C[C@H](OC(=O)c3ccc(Br)cc3)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O
    InChI
    InChI=1S/C27H33BrO5/c1-15-17-13-19(33-23(30)16-5-7-18(28)8-6-16)21-25(2)10-4-11-26(3,24(31)32)20(25)9-12-27(21,14-17)22(15)29/h5-8,17,19-22,29H,1,4,9-14H2,2-3H3,(H,31,32)/t17-,19-,20-,21-,22+,25+,26+,27+/m0/s1
    MOLECULAR FORMULA
    C27H33BrO5
    CROSS REFERENCES
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    canSAR1130227

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.15
    AlogP 5.61
    HBond donors 2
    HBond acceptors 5
    Atoms 66
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1130227.