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canSAR1015372
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NAMES
    SMILES
    C1=C/CNc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1
    InChI
    InChI=1S/C21H20N4O/c1-2-11-22-17-7-5-8-18(15-17)24-21-23-12-10-20(25-21)16-6-4-9-19(14-16)26-13-3-1/h1-2,4-10,12,14-15,22H,3,11,13H2,(H,23,24,25)/b2-1+
    MOLECULAR FORMULA
    C21H20N4O
    CROSS REFERENCES
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    canSAR1015372

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 344.16
    AlogP 4.64
    HBond donors 2
    HBond acceptors 5
    Atoms 46
    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 canSAR1015372.