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canSAR108670
FEATURES
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NAMES
    SMILES
    COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)N3CN(C(C)(C)C)CC(=C3C2=O)C1=O
    InChI
    InChI=1S/C35H51N3O9/c1-19-14-23-29(40)27-24(30(41)32(23)46-10)17-37(35(5,6)7)18-38(27)33(42)20(2)12-11-13-25(44-8)31(47-34(36)43)22(4)16-21(3)28(39)26(15-19)45-9/h11-13,16,19,21,25-26,28,31,39H,14-15,17-18H2,1-10H3,(H2,36,43)/b13-11-,20-12+,22-16+/t19-,21+,25+,26+,28-,31+/m1/s1
    MOLECULAR FORMULA
    C35H51N3O9
    CROSS REFERENCES
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    canSAR108670

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 657.36
    AlogP 3.56
    HBond donors 3
    HBond acceptors 12
    Atoms 98
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR108670.