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canSAR1267394
FEATURES
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NAMES
    SMILES
    CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCc3cc(F)cc(F)c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O
    InChI
    InChI=1S/C35H43F2N3O8/c1-18-10-25-30(39-17-22-13-23(36)15-24(37)14-22)27(41)16-26(32(25)43)40-34(44)19(2)8-7-9-28(46-5)33(48-35(38)45)21(4)12-20(3)31(42)29(11-18)47-6/h7-9,12-16,18,20,28-29,31,33,39,42H,10-11,17H2,1-6H3,(H2,38,45)(H,40,44)/b9-7-,19-8+,21-12+/t18-,20+,28+,29+,31-,33+/m1/s1
    MOLECULAR FORMULA
    C35H43F2N3O8
    CROSS REFERENCES
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    canSAR1267394

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 671.30
    AlogP 3.83
    HBond donors 5
    HBond acceptors 11
    Atoms 91
    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 canSAR1267394.