canSAR1387890
FEATURES
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NAMES
    SMILES
    Cc1ccsc1C(=CCCN1CCC[C@@H]1[C@@H](N)C(=O)O)c1sccc1C
    InChI
    InChI=1S/C20H26N2O2S2/c1-13-7-11-25-18(13)15(19-14(2)8-12-26-19)5-3-9-22-10-4-6-16(22)17(21)20(23)24/h5,7-8,11-12,16-17H,3-4,6,9-10,21H2,1-2H3,(H,23,24)/t16-,17-/m1/s1
    MOLECULAR FORMULA
    C20H26N2O2S2
    CROSS REFERENCES
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    canSAR1387890
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight390.14
    AlogP4.12
    HBond donors3
    HBond acceptors4
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387890.