990701 logo
canSAR990701
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cccc2[nH]c(C(C#N)=Cc3ccc(OCC(N)=O)cc3)nc12
    InChI
    InChI=1S/C19H16N4O3/c1-25-16-4-2-3-15-18(16)23-19(22-15)13(10-20)9-12-5-7-14(8-6-12)26-11-17(21)24/h2-9H,11H2,1H3,(H2,21,24)(H,22,23)
    MOLECULAR FORMULA
    C19H16N4O3
    CROSS REFERENCES
    990701 logo

    canSAR990701

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 348.12
    AlogP 2.50
    HBond donors 3
    HBond acceptors 7
    Atoms 42
    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 canSAR990701.