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canSAR1012385
FEATURES
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NAMES
    SMILES
    C=C(C(=O)C[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)CO
    InChI
    InChI=1S/C33H50O7/c1-18(14-22(36)20(3)19(2)16-34)27-23(40-21(4)35)15-30(6)24-8-9-25-31(7,28(38)39)26(37)10-11-32(25)17-33(24,32)13-12-29(27,30)5/h18-19,23-27,34,37H,3,8-17H2,1-2,4-7H3,(H,38,39)/t18-,19?,23+,24+,25+,26+,27+,29-,30+,31+,32-,33+/m1/s1
    MOLECULAR FORMULA
    C33H50O7
    CROSS REFERENCES
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    canSAR1012385

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 558.36
    AlogP 5.17
    HBond donors 3
    HBond acceptors 7
    Atoms 90
    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 canSAR1012385.