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canSAR563243
FEATURES
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NAMES
    SMILES
    COc1ccc(O)c(CN[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCSC)C(=O)O)C(C)C)c1
    InChI
    InChI=1S/C27H37N3O6S/c1-17(2)24(28-16-19-15-20(36-3)10-11-23(19)31)26(33)30-22(14-18-8-6-5-7-9-18)25(32)29-21(27(34)35)12-13-37-4/h5-11,15,17,21-22,24,28,31H,12-14,16H2,1-4H3,(H,29,32)(H,30,33)(H,34,35)/t21-,22-,24-/m0/s1
    MOLECULAR FORMULA
    C27H37N3O6S
    CROSS REFERENCES
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    canSAR563243

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 531.24
    AlogP 2.56
    HBond donors 5
    HBond acceptors 9
    Atoms 74
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR563243.