canSAR869172
FEATURES
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C31H43NO3/c1-18(2)20-10-13-31(26(34)35)15-14-29(6)21(24(20)31)8-9-23-28(5)16-19(17-32)25(33)27(3,4)22(28)11-12-30(23,29)7/h16,20-24H,1,8-15H2,2-7H3,(H,34,35)/t20-,21+,22-,23+,24+,28-,29+,30+,31-/m0/s1
    MOLECULAR FORMULA
    C31H43NO3
    CROSS REFERENCES
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    canSAR869172
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight477.32
    AlogP6.97
    HBond donors1
    HBond acceptors4
    Atoms78
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR869172.