canSAR621333
FEATURES
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NAMES
    SMILES
    CC1=C(C(=O)OCc2ccncc2)C(C2=C(C)SCCS2)C(C(=O)OCc2ccncc2)=C(C)N1
    InChI
    InChI=1S/C26H27N3O4S2/c1-16-21(25(30)32-14-19-4-8-27-9-5-19)23(24-18(3)34-12-13-35-24)22(17(2)29-16)26(31)33-15-20-6-10-28-11-7-20/h4-11,23,29H,12-15H2,1-3H3
    MOLECULAR FORMULA
    C26H27N3O4S2
    CROSS REFERENCES
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    canSAR621333
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight509.14
    AlogP4.74
    HBond donors1
    HBond acceptors7
    Atoms62
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR621333.