canSAR421678
FEATURES
Loading...
NAMES
    SMILES
    C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CSc4ccccc4)C3)[C@H](C)[C@H]12
    InChI
    InChI=1S/C21H26N2O4S2/c1-11-17-16(12(2)24)20(25)23(17)18(21(26)27)19(11)29-15-8-13(22-9-15)10-28-14-6-4-3-5-7-14/h3-7,11-13,15-17,22,24H,8-10H2,1-2H3,(H,26,27)/t11-,12-,13+,15+,16-,17-/m1/s1
    MOLECULAR FORMULA
    C21H26N2O4S2
    CROSS REFERENCES
    Loading...
    canSAR421678
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight434.13
    AlogP2.40
    HBond donors3
    HBond acceptors6
    Atoms55
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR421678.