668598 logo
canSAR668598
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cccc(C(=O)Nc2ccc(OCCN3CCN(S(C)(=O)=O)CC3)c(-c3ccnn3C)c2)c1
    InChI
    InChI=1S/C25H31N5O5S/c1-28-23(9-10-26-28)22-18-20(27-25(31)19-5-4-6-21(17-19)34-2)7-8-24(22)35-16-15-29-11-13-30(14-12-29)36(3,32)33/h4-10,17-18H,11-16H2,1-3H3,(H,27,31)
    MOLECULAR FORMULA
    C25H31N5O5S
    CROSS REFERENCES
    668598 logo

    canSAR668598

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 513.20
    AlogP 2.30
    HBond donors 1
    HBond acceptors 10
    Atoms 67
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR668598.