1205080 logo
canSAR1205080
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN1c2ccccc2Sc2ccc(C3(O)CN4CCCCC4CO3)cc21
    InChI
    InChI=1S/C21H24N2O2S/c1-22-17-7-2-3-8-19(17)26-20-10-9-15(12-18(20)22)21(24)14-23-11-5-4-6-16(23)13-25-21/h2-3,7-10,12,16,24H,4-6,11,13-14H2,1H3
    MOLECULAR FORMULA
    C21H24N2O2S
    CROSS REFERENCES
    1205080 logo

    canSAR1205080

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 368.16
    AlogP 3.95
    HBond donors 1
    HBond acceptors 4
    Atoms 50
    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 canSAR1205080.