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canSAR2088301
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NAMES
    SMILES
    O=C(NO)c1ccc(-c2cn([C@@H]3C[C@@H](C(=O)O)N(Cc4ccccc4)C3)nn2)cc1
    InChI
    InChI=1S/C21H21N5O4/c27-20(23-30)16-8-6-15(7-9-16)18-13-26(24-22-18)17-10-19(21(28)29)25(12-17)11-14-4-2-1-3-5-14/h1-9,13,17,19,30H,10-12H2,(H,23,27)(H,28,29)/t17-,19+/m1/s1
    MOLECULAR FORMULA
    C21H21N5O4
    CROSS REFERENCES
    2088301 logo

    canSAR2088301

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.16
    AlogP 1.96
    HBond donors 3
    HBond acceptors 9
    Atoms 51
    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 canSAR2088301.