1117315 logo
canSAR1117315
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(NC2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)S2)c(OC)c1
    InChI
    InChI=1S/C28H24N4O3S/c1-18-9-11-19(12-10-18)26-20(17-32(31-26)21-7-5-4-6-8-21)15-25-27(33)30-28(36-25)29-23-14-13-22(34-2)16-24(23)35-3/h4-17H,1-3H3,(H,29,30,33)/b25-15-
    MOLECULAR FORMULA
    C28H24N4O3S
    CROSS REFERENCES
    1117315 logo

    canSAR1117315

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.16
    AlogP 5.95
    HBond donors 1
    HBond acceptors 7
    Atoms 60
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1117315.