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canSAR831876
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NAMES
    SMILES
    COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)C3OC3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
    InChI
    InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26-,27+,29+,31?,32?/m1/s1
    MOLECULAR FORMULA
    C35H43ClN2O8
    CROSS REFERENCES
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    canSAR831876

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 654.27
    AlogP 4.73
    HBond donors 2
    HBond acceptors 10
    Atoms 89
    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 canSAR831876.