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canSAR1063990
FEATURES
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NAMES
    SMILES
    COc1ccc(/C=C/C(=O)N[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1
    InChI
    InChI=1S/C43H61NO9/c1-24-14-19-43(50-23-24)25(2)36-33(53-43)21-32-30-12-9-27-20-29(15-17-41(27,3)31(30)16-18-42(32,36)4)51-40-37(39(48)38(47)34(22-45)52-40)44-35(46)13-8-26-6-10-28(49-5)11-7-26/h6-11,13,24-25,29-34,36-40,45,47-48H,12,14-23H2,1-5H3,(H,44,46)/b13-8+/t24-,25+,29+,30-,31+,32+,33+,34-,36+,37-,38-,39-,40-,41+,42+,43-/m1/s1
    MOLECULAR FORMULA
    C43H61NO9
    CROSS REFERENCES
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    canSAR1063990

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 735.43
    AlogP 5.38
    HBond donors 4
    HBond acceptors 10
    Atoms 114
    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 canSAR1063990.