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canSAR1155288
FEATURES
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NAMES
    SMILES
    CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](O)(C#Cc5ccc6c(c5)OCO6)CC[C@]4(C)[C@H]3CC[C@]12C
    InChI
    InChI=1S/C30H38O4/c1-19(31)23-7-8-24-22-6-5-21-17-30(32,13-10-20-4-9-26-27(16-20)34-18-33-26)15-14-28(21,2)25(22)11-12-29(23,24)3/h4,9,16,21-25,32H,5-8,11-12,14-15,17-18H2,1-3H3/t21-,22+,23-,24+,25+,28+,29-,30-/m1/s1
    MOLECULAR FORMULA
    C30H38O4
    CROSS REFERENCES
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    canSAR1155288

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.28
    AlogP 5.75
    HBond donors 1
    HBond acceptors 4
    Atoms 72
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1155288.