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canSAR1689961
FEATURES
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NAMES
    SMILES
    COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1Cn1cc([N+](=O)[O-])cn1
    InChI
    InChI=1S/C24H17N5O6/c1-33-18-7-6-13(8-14(18)11-28-12-15(10-27-28)29(31)32)20-17(9-25)23(26)35-22-16-4-2-3-5-19(16)34-24(30)21(20)22/h2-8,10,12,20H,11,26H2,1H3
    MOLECULAR FORMULA
    C24H17N5O6
    CROSS REFERENCES
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    canSAR1689961

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.12
    AlogP 3.17
    HBond donors 2
    HBond acceptors 11
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1689961.