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canSAR1059459
FEATURES
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NAMES
    SMILES
    CC(CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O
    InChI
    InChI=1S/C30H40O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19,25,36H,8-13H2,1-7H3,(H,37,38)/t14-,15?,17-,19+,25-,28+,29+,30+/m1/s1
    MOLECULAR FORMULA
    C30H40O8
    CROSS REFERENCES
    1059459 logo

    canSAR1059459

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 528.27
    AlogP 3.52
    HBond donors 2
    HBond acceptors 8
    Atoms 78
    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 canSAR1059459.