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canSAR1968789
FEATURES
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NAMES
    SMILES
    COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccnc3-c3ccncc3)NC(=O)NC1=O)C2
    InChI
    InChI=1S/C25H19N5O4/c1-34-19-5-4-18-14-30(22(31)20(18)13-19)15-25(23(32)28-24(33)29-25)9-6-16-3-2-10-27-21(16)17-7-11-26-12-8-17/h2-5,7-8,10-13H,14-15H2,1H3,(H2,28,29,32,33)/t25-/m1/s1
    MOLECULAR FORMULA
    C25H19N5O4
    CROSS REFERENCES
    1968789 logo

    canSAR1968789

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.14
    AlogP 1.74
    HBond donors 2
    HBond acceptors 9
    Atoms 53
    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 canSAR1968789.