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canSAR1088589
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NAMES
    SMILES
    Nc1nccc(-c2ccc3nc([C@@H]4CNC[C@H]4c4ccccc4)[nH]c(=O)c3c2)n1
    InChI
    InChI=1S/C22H20N6O/c23-22-25-9-8-18(27-22)14-6-7-19-15(10-14)21(29)28-20(26-19)17-12-24-11-16(17)13-4-2-1-3-5-13/h1-10,16-17,24H,11-12H2,(H2,23,25,27)(H,26,28,29)/t16-,17+/m0/s1
    MOLECULAR FORMULA
    C22H20N6O
    CROSS REFERENCES
    1088589 logo

    canSAR1088589

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 384.17
    AlogP 2.43
    HBond donors 4
    HBond acceptors 7
    Atoms 49
    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 canSAR1088589.