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canSAR836134
FEATURES
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NAMES
    SMILES
    CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)C(=O)O
    InChI
    InChI=1S/C21H31N3O5S3/c1-2-3-10-32(28,29)24-16(21(26)27)13-23-20(25)19-12-18-17(31-19)11-15(30-18)5-4-14-6-8-22-9-7-14/h11-12,14,16,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t16-/m0/s1
    MOLECULAR FORMULA
    C21H31N3O5S3
    CROSS REFERENCES
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    canSAR836134

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.14
    AlogP 2.80
    HBond donors 4
    HBond acceptors 8
    Atoms 63
    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 canSAR836134.