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canSAR1095064
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NAMES
    SMILES
    C#Cc1cccc(Nc2ncnc3ccc(NC=C(C(=O)OCC)C(=O)OCC)cc23)c1
    InChI
    InChI=1S/C24H22N4O4/c1-4-16-8-7-9-18(12-16)28-22-19-13-17(10-11-21(19)26-15-27-22)25-14-20(23(29)31-5-2)24(30)32-6-3/h1,7-15,25H,5-6H2,2-3H3,(H,26,27,28)
    MOLECULAR FORMULA
    C24H22N4O4
    CROSS REFERENCES
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    canSAR1095064

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.16
    AlogP 3.78
    HBond donors 2
    HBond acceptors 8
    Atoms 54
    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 canSAR1095064.