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canSAR1954391
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NAMES
    SMILES
    Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)c(OCC(F)F)cc21
    InChI
    InChI=1S/C30H27Cl3F2N6O3S/c1-30(2,3)27(43)36-12-14-5-7-17(32)25(24(14)33)39-28-37-19-10-16(21(44-13-23(34)35)11-20(19)41(28)4)26(42)40-29-38-18-8-6-15(31)9-22(18)45-29/h5-11,23H,12-13H2,1-4H3,(H,36,43)(H,37,39)(H,38,40,42)
    MOLECULAR FORMULA
    C30H27Cl3F2N6O3S
    CROSS REFERENCES
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    canSAR1954391

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 694.09
    AlogP 8.45
    HBond donors 3
    HBond acceptors 9
    Atoms 72
    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 canSAR1954391.