1497380 logo
canSAR1497380
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCOC(=O)N1CCc2c(sc(NCc3sccc3C)c2C(=O)Nc2cc(OC)ccc2OC)C1
    InChI
    InChI=1S/C25H29N3O5S2/c1-5-33-25(30)28-10-8-17-21(14-28)35-24(26-13-20-15(2)9-11-34-20)22(17)23(29)27-18-12-16(31-3)6-7-19(18)32-4/h6-7,9,11-12,26H,5,8,10,13-14H2,1-4H3,(H,27,29)
    MOLECULAR FORMULA
    C25H29N3O5S2
    CROSS REFERENCES
    1497380 logo

    canSAR1497380

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 515.15
    AlogP 5.51
    HBond donors 2
    HBond acceptors 8
    Atoms 64
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1497380.