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canSAR120262
FEATURES
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NAMES
    SMILES
    O=C(O)CN1C[C@H](c2cccs2)SC[C@H](N[C@@H](CCc2ccccc2)C(=O)O)C1=O
    InChI
    InChI=1S/C21H24N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-16,18,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16-,18+/m0/s1
    MOLECULAR FORMULA
    C21H24N2O5S2
    CROSS REFERENCES
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    canSAR120262

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.11
    AlogP 2.49
    HBond donors 3
    HBond acceptors 7
    Atoms 54
    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 canSAR120262.