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canSAR1864545
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NAMES
    SMILES
    C/C(=N\N=C(N)N)c1cccc(C(=O)Nc2ccc(Nc3ccnc4ccc(N(C)C)cc34)cc2)c1.Cl
    InChI
    InChI=1S/C27H28N8O.ClH/c1-17(33-34-27(28)29)18-5-4-6-19(15-18)26(36)32-21-9-7-20(8-10-21)31-25-13-14-30-24-12-11-22(35(2)3)16-23(24)25;/h4-16H,1-3H3,(H,30,31)(H,32,36)(H4,28,29,34);1H/b33-17+;
    MOLECULAR FORMULA
    C27H29ClN8O
    CROSS REFERENCES
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    canSAR1864545

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.22
    AlogP 4.72
    HBond donors 6
    HBond acceptors 9
    Atoms 66
    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 canSAR1864545.