564958 logo
canSAR564958
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cl.Oc1ccc2[nH]cc(/C=N/NC3=NCCC3)c2c1
    InChI
    InChI=1S/C13H14N4O.ClH/c18-10-3-4-12-11(6-10)9(7-15-12)8-16-17-13-2-1-5-14-13;/h3-4,6-8,15,18H,1-2,5H2,(H,14,17);1H/b16-8+;
    MOLECULAR FORMULA
    C13H15ClN4O
    CROSS REFERENCES
    564958 logo

    canSAR564958

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 278.09
    AlogP 2.41
    HBond donors 3
    HBond acceptors 5
    Atoms 34
    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 canSAR564958.