499893 logo
canSAR499893
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Nc1ccc(C2=NN=C(S)Cc3cc4c(cc32)OCO4)cc1
    InChI
    InChI=1S/C16H13N3O2S/c17-11-3-1-9(2-4-11)16-12-7-14-13(20-8-21-14)5-10(12)6-15(22)18-19-16/h1-5,7H,6,8,17H2,(H,18,22)
    MOLECULAR FORMULA
    C16H13N3O2S
    CROSS REFERENCES
    499893 logo

    canSAR499893

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 311.07
    AlogP 2.63
    HBond donors 2
    HBond acceptors 5
    Atoms 35
    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 canSAR499893.