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canSAR785839
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NAMES
    SMILES
    COc1cc(N2CCN(C)CC2)ccc1/N=C1/N=CC(Cl)C(Nc2cccc3c2C(=O)N(C)C3)=N1
    InChI
    InChI=1S/C25H28ClN7O2/c1-31-9-11-33(12-10-31)17-7-8-19(21(13-17)35-3)29-25-27-14-18(26)23(30-25)28-20-6-4-5-16-15-32(2)24(34)22(16)20/h4-8,13-14,18H,9-12,15H2,1-3H3,(H,28,29,30)
    MOLECULAR FORMULA
    C25H28ClN7O2
    CROSS REFERENCES
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    canSAR785839

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.20
    AlogP 3.22
    HBond donors 1
    HBond acceptors 9
    Atoms 63
    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 canSAR785839.