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canSAR1062794
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NAMES
    SMILES
    CC(C)c1ccc(NC(=O)c2cccc(-c3nn([C@@H]4CCCN(C(=O)/C=C/CN5CCNCC5)C4)c4ncnc(N)c34)c2)cc1
    InChI
    InChI=1S/C34H41N9O2/c1-23(2)24-10-12-27(13-11-24)39-34(45)26-7-3-6-25(20-26)31-30-32(35)37-22-38-33(30)43(40-31)28-8-4-17-42(21-28)29(44)9-5-16-41-18-14-36-15-19-41/h3,5-7,9-13,20,22-23,28,36H,4,8,14-19,21H2,1-2H3,(H,39,45)(H2,35,37,38)/b9-5+/t28-/m1/s1
    MOLECULAR FORMULA
    C34H41N9O2
    CROSS REFERENCES
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    canSAR1062794

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 607.34
    AlogP 4.08
    HBond donors 4
    HBond acceptors 11
    Atoms 86
    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 canSAR1062794.