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canSAR551803
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NAMES
    SMILES
    Cc1cc(-n2cccn2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)cc4)c3Cl)c2n1.Cl
    InChI
    InChI=1S/C35H32Cl2N6O4.ClH/c1-22-19-29(43-18-6-17-39-43)25-7-5-8-30(34(25)40-22)47-21-26-27(36)14-15-28(33(26)37)42(4)32(45)20-38-31(44)16-11-23-9-12-24(13-10-23)35(46)41(2)3;/h5-19H,20-21H2,1-4H3,(H,38,44);1H/b16-11+;
    MOLECULAR FORMULA
    C35H33Cl3N6O4
    CROSS REFERENCES
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    canSAR551803

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 706.16
    AlogP 6.53
    HBond donors 1
    HBond acceptors 10
    Atoms 81
    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 canSAR551803.