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canSAR1831634
FEATURES
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NAMES
    SMILES
    CC[C@H](NC(=O)CCc1ccc(-c2ccsc2)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O
    InChI
    InChI=1S/C22H27N3O5S/c1-2-17(22(30)25-18(21(23)29)8-10-20(27)28)24-19(26)9-5-14-3-6-15(7-4-14)16-11-12-31-13-16/h3-4,6-7,11-13,17-18H,2,5,8-10H2,1H3,(H2,23,29)(H,24,26)(H,25,30)(H,27,28)/t17-,18-/m0/s1
    MOLECULAR FORMULA
    C22H27N3O5S
    CROSS REFERENCES
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    canSAR1831634

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.17
    AlogP 2.08
    HBond donors 5
    HBond acceptors 8
    Atoms 58
    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 canSAR1831634.