canSAR1503295
FEATURES
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NAMES
    SMILES
    COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CC(Br)(Br)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
    InChI
    InChI=1S/C31H44Br2O4/c1-25(2)11-13-30(24(36)37-8)14-12-28(6)18(19(30)16-25)15-20(34)22-27(5)17-31(32,33)23(35)26(3,4)21(27)9-10-29(22,28)7/h15,19,21-22H,9-14,16-17H2,1-8H3/t19-,21-,22+,27-,28+,29+,30-/m0/s1
    MOLECULAR FORMULA
    C31H44Br2O4
    CROSS REFERENCES
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    canSAR1503295
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight638.16
    AlogP7.81
    HBond donors0
    HBond acceptors4
    Atoms81
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503295.