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canSAR1505684
FEATURES
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NAMES
    SMILES
    COc1ccc(/C=N/N2C(=O)c3c(N)c(C#N)c(-c4ccccc4)c(-c4ccccc4)c3C2=O)cc1
    InChI
    InChI=1S/C29H20N4O3/c1-36-21-14-12-18(13-15-21)17-32-33-28(34)25-24(20-10-6-3-7-11-20)23(19-8-4-2-5-9-19)22(16-30)27(31)26(25)29(33)35/h2-15,17H,31H2,1H3/b32-17+
    MOLECULAR FORMULA
    C29H20N4O3
    CROSS REFERENCES
    1505684 logo

    canSAR1505684

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 472.15
    AlogP 5.11
    HBond donors 2
    HBond acceptors 7
    Atoms 56
    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 canSAR1505684.