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canSAR1690960
FEATURES
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NAMES
    SMILES
    CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CCC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C
    InChI
    InChI=1S/C36H39ClN2O11/c1-17(2)8-7-9-19-16-20(11-14-23(19)40)32(43)39-26-27(41)21-12-15-24(25(37)29(21)48-34(26)45)47-35-28(42)30(31(46-6)36(4,5)50-35)49-33(44)22-13-10-18(3)38-22/h8,10-16,28,30-31,35,38,40-42H,7,9H2,1-6H3,(H,39,43)/t28-,30+,31-,35-/m1/s1
    MOLECULAR FORMULA
    C36H39ClN2O11
    CROSS REFERENCES
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    canSAR1690960

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 710.22
    AlogP 5.76
    HBond donors 5
    HBond acceptors 13
    Atoms 89
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1690960.