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canSAR1013664
FEATURES
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NAMES
    SMILES
    CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C
    InChI
    InChI=1S/C36H56O8/c1-19(2)16-22(37)17-20(3)23-10-12-33(6)24-8-9-25-34(7,31(42)44-30-29(41)28(40)27(39)21(4)43-30)26(38)11-13-35(25)18-36(24,35)15-14-32(23,33)5/h16,20-21,23-30,38-41H,8-15,17-18H2,1-7H3/t20-,21+,23-,24+,25+,26+,27+,28-,29-,30+,32-,33+,34+,35-,36+/m1/s1
    MOLECULAR FORMULA
    C36H56O8
    CROSS REFERENCES
    1013664 logo

    canSAR1013664

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 616.40
    AlogP 4.70
    HBond donors 4
    HBond acceptors 8
    Atoms 100
    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 canSAR1013664.