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canSAR1618130
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NAMES
    SMILES
    CN(C)c1cc(C(=O)O)nc2c(-c3cccc(C#N)c3)nc(N3CCOCC3)nc12
    InChI
    InChI=1S/C21H20N6O3/c1-26(2)16-11-15(20(28)29)23-19-17(14-5-3-4-13(10-14)12-22)24-21(25-18(16)19)27-6-8-30-9-7-27/h3-5,10-11H,6-9H2,1-2H3,(H,28,29)
    MOLECULAR FORMULA
    C21H20N6O3
    CROSS REFERENCES
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    canSAR1618130

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.16
    AlogP 2.16
    HBond donors 1
    HBond acceptors 9
    Atoms 50
    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 canSAR1618130.