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canSAR142728
FEATURES
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NAMES
    SMILES
    CC(C)CCC(=O)[C@@H](C)[C@@]1(O)[C@H](O)C[C@@]2(C)C3CC[C@@]4(C)C[C@@H](O)CC[C@]4(C)[C@@]3(C)CC[C@@]21C
    InChI
    InChI=1S/C30H52O4/c1-19(2)9-10-22(32)20(3)30(34)24(33)18-27(6)23-12-13-25(4)17-21(31)11-14-28(25,7)26(23,5)15-16-29(27,30)8/h19-21,23-24,31,33-34H,9-18H2,1-8H3/t20-,21+,23?,24-,25+,26+,27+,28+,29+,30-/m1/s1
    MOLECULAR FORMULA
    C30H52O4
    CROSS REFERENCES
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    canSAR142728

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 476.39
    AlogP 5.90
    HBond donors 3
    HBond acceptors 4
    Atoms 86
    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 canSAR142728.