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canSAR784084
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NAMES
    SMILES
    N[C@H](Cc1cccc(Cl)c1)C(=O)N1CCN(c2ncnc3ccccc23)CC1
    InChI
    InChI=1S/C21H22ClN5O/c22-16-5-3-4-15(12-16)13-18(23)21(28)27-10-8-26(9-11-27)20-17-6-1-2-7-19(17)24-14-25-20/h1-7,12,14,18H,8-11,13,23H2/t18-/m1/s1
    MOLECULAR FORMULA
    C21H22ClN5O
    CROSS REFERENCES
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    canSAR784084

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.15
    AlogP 2.50
    HBond donors 2
    HBond acceptors 6
    Atoms 50
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR784084.