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canSAR1126069
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NAMES
    SMILES
    N#Cc1c(-c2cccc([N+](=O)[O-])c2)c(C#N)c(=O)n(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1N
    InChI
    InChI=1S/C29H18N8O3/c30-15-24-26(20-10-7-13-23(14-20)37(39)40)25(16-31)29(38)36(28(24)32)33-17-21-18-35(22-11-5-2-6-12-22)34-27(21)19-8-3-1-4-9-19/h1-14,17-18H,32H2/b33-17+
    MOLECULAR FORMULA
    C29H18N8O3
    CROSS REFERENCES
    1126069 logo

    canSAR1126069

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 526.15
    AlogP 4.48
    HBond donors 2
    HBond acceptors 11
    Atoms 58
    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 canSAR1126069.