1998174 logo
canSAR1998174
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N(C)CC2CCCO2)cc1)c1nc2cc3c(cc2s1)OCO3.Cl
    InChI
    InChI=1S/C25H30N4O6S2.ClH/c1-27(2)10-11-29(25-26-20-13-21-22(35-16-34-21)14-23(20)36-25)24(30)17-6-8-19(9-7-17)37(31,32)28(3)15-18-5-4-12-33-18;/h6-9,13-14,18H,4-5,10-12,15-16H2,1-3H3;1H
    MOLECULAR FORMULA
    C25H31ClN4O6S2
    CROSS REFERENCES
    1998174 logo

    canSAR1998174

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 582.14
    AlogP 3.45
    HBond donors 0
    HBond acceptors 10
    Atoms 69
    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 canSAR1998174.