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canSAR1113398
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NAMES
    SMILES
    N#Cc1c(-c2cccc(Cl)c2)c(C#N)c(=O)n(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1N
    InChI
    InChI=1S/C29H18ClN7O/c30-22-11-7-10-20(14-22)26-24(15-31)28(33)37(29(38)25(26)16-32)34-17-21-18-36(23-12-5-2-6-13-23)35-27(21)19-8-3-1-4-9-19/h1-14,17-18H,33H2/b34-17+
    MOLECULAR FORMULA
    C29H18ClN7O
    CROSS REFERENCES
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    canSAR1113398

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 515.13
    AlogP 5.23
    HBond donors 2
    HBond acceptors 8
    Atoms 56
    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 canSAR1113398.