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canSAR2084484
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NAMES
    SMILES
    O=C(NO)c1ccc(-c2cn([C@H]3C[C@@H](CO)N(Cc4ccccc4)C3)nn2)cc1
    InChI
    InChI=1S/C21H23N5O3/c27-14-19-10-18(12-25(19)11-15-4-2-1-3-5-15)26-13-20(22-24-26)16-6-8-17(9-7-16)21(28)23-29/h1-9,13,18-19,27,29H,10-12,14H2,(H,23,28)/t18-,19-/m0/s1
    MOLECULAR FORMULA
    C21H23N5O3
    CROSS REFERENCES
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    canSAR2084484

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.18
    AlogP 1.87
    HBond donors 3
    HBond acceptors 8
    Atoms 52
    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 canSAR2084484.