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canSAR1154805
FEATURES
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NAMES
    SMILES
    CC(=O)OC[C@]12CC[C@@H](C(C)=O)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
    InChI
    InChI=1S/C31H50O4/c1-19(32)21-10-15-31(18-35-20(2)33)17-16-29(6)22(26(21)31)8-9-24-28(5)13-12-25(34)27(3,4)23(28)11-14-30(24,29)7/h21-26,34H,8-18H2,1-7H3/t21-,22+,23-,24+,25+,26+,28-,29+,30+,31+/m0/s1
    MOLECULAR FORMULA
    C31H50O4
    CROSS REFERENCES
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    canSAR1154805

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 486.37
    AlogP 6.58
    HBond donors 1
    HBond acceptors 4
    Atoms 85
    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 canSAR1154805.