canSAR736496
FEATURES
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NAMES
    SMILES
    COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)c1cccc(CO[N+](=O)[O-])c1Br)CC2
    InChI
    InChI=1S/C28H27BrN2O8S/c1-36-22-12-15-8-10-20(30-28(33)18-7-5-6-16(25(18)29)14-39-31(34)35)19-13-21(32)23(40-4)11-9-17(19)24(15)27(38-3)26(22)37-2/h5-7,9,11-13,20H,8,10,14H2,1-4H3,(H,30,33)/t20-/m0/s1
    MOLECULAR FORMULA
    C28H27BrN2O8S
    CROSS REFERENCES
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    canSAR736496
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight630.07
    AlogP5.35
    HBond donors1
    HBond acceptors10
    Atoms67
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR736496.