1132749 logo
canSAR1132749
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cc(-c2ccc(C)n2-c2ccc(-c3nc4ccccc4s3)cc2)cc(OC)c1OC
    InChI
    InChI=1S/C27H24N2O3S/c1-17-9-14-22(19-15-23(30-2)26(32-4)24(16-19)31-3)29(17)20-12-10-18(11-13-20)27-28-21-7-5-6-8-25(21)33-27/h5-16H,1-4H3
    MOLECULAR FORMULA
    C27H24N2O3S
    CROSS REFERENCES
    1132749 logo

    canSAR1132749

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.15
    AlogP 6.76
    HBond donors 0
    HBond acceptors 5
    Atoms 57
    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 canSAR1132749.