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canSAR501385
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NAMES
    SMILES
    Nc1nc(N2CCN(Cc3c(F)ccc(Cl)c3F)CC2)nc2nc(-c3ccco3)nn12
    InChI
    InChI=1S/C19H17ClF2N8O/c20-12-3-4-13(21)11(15(12)22)10-28-5-7-29(8-6-28)18-25-17(23)30-19(26-18)24-16(27-30)14-2-1-9-31-14/h1-4,9H,5-8,10H2,(H2,23,24,25,26,27)
    MOLECULAR FORMULA
    C19H17ClF2N8O
    CROSS REFERENCES
    501385 logo

    canSAR501385

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.12
    AlogP 2.62
    HBond donors 2
    HBond acceptors 9
    Atoms 48
    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 canSAR501385.