745483 logo
canSAR745483
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc2c(c1)c1c(n2Cc2ccc(S(C)(=O)=O)cc2)CCN(CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1
    InChI
    InChI=1S/C35H41FN2O6S/c1-41-28-7-10-33-31(22-28)32-24-37(15-11-34(32)38(33)23-25-5-8-30(9-6-25)45(3,39)40)14-4-16-44-29-20-26(19-27(36)21-29)35(42-2)12-17-43-18-13-35/h5-10,19-22H,4,11-18,23-24H2,1-3H3
    MOLECULAR FORMULA
    C35H41FN2O6S
    CROSS REFERENCES
    745483 logo

    canSAR745483

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 636.27
    AlogP 5.72
    HBond donors 0
    HBond acceptors 8
    Atoms 86
    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 canSAR745483.