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canSAR784982
FEATURES
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NAMES
    SMILES
    CCOCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2sc(CCC3CCNCC3)cc2s1)C(=O)O
    InChI
    InChI=1S/C21H31N3O6S3/c1-2-30-9-10-33(28,29)24-16(21(26)27)13-23-20(25)19-12-18-17(32-19)11-15(31-18)4-3-14-5-7-22-8-6-14/h11-12,14,16,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t16-/m0/s1
    MOLECULAR FORMULA
    C21H31N3O6S3
    CROSS REFERENCES
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    canSAR784982

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 517.14
    AlogP 2.03
    HBond donors 4
    HBond acceptors 9
    Atoms 64
    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 canSAR784982.