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canSAR546595
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NAMES
    SMILES
    Cc1cc(N(C)C)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)Nc5ccncc5)cc4)c3Cl)c2n1
    InChI
    InChI=1S/C37H34Cl2N6O4/c1-23-20-31(44(2)3)27-6-5-7-32(36(27)42-23)49-22-28-29(38)13-14-30(35(28)39)45(4)34(47)21-41-33(46)15-10-24-8-11-25(12-9-24)37(48)43-26-16-18-40-19-17-26/h5-20H,21-22H2,1-4H3,(H,41,46)(H,40,43,48)/b15-10+
    MOLECULAR FORMULA
    C37H34Cl2N6O4
    CROSS REFERENCES
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    canSAR546595

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 696.20
    AlogP 6.93
    HBond donors 2
    HBond acceptors 10
    Atoms 83
    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 canSAR546595.