1500439 logo
canSAR1500439
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cc(NC(=O)N2c3ccccc3Sc3ccccc32)c(C(=O)O)cc1OC
    InChI
    InChI=1S/C22H18N2O5S/c1-28-17-11-13(21(25)26)14(12-18(17)29-2)23-22(27)24-15-7-3-5-9-19(15)30-20-10-6-4-8-16(20)24/h3-12H,1-2H3,(H,23,27)(H,25,26)
    MOLECULAR FORMULA
    C22H18N2O5S
    CROSS REFERENCES
    1500439 logo

    canSAR1500439

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.09
    AlogP 5.24
    HBond donors 2
    HBond acceptors 7
    Atoms 48
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1500439.