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canSAR1204456
FEATURES
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NAMES
    SMILES
    CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
    InChI
    InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,11,20-22,24-25,31H,8,10,12-18H2,1-7H3,(H,32,33)/t20-,21-,22-,24-,25+,28+,29-,30+/m0/s1
    MOLECULAR FORMULA
    C30H48O3
    CROSS REFERENCES
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    canSAR1204456

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.36
    AlogP 7.40
    HBond donors 2
    HBond acceptors 3
    Atoms 81
    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 canSAR1204456.