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canSAR991144
FEATURES
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NAMES
    SMILES
    COc1cc2cc(C(=O)N3CC(CBr)c4c3cc([N+](=O)[O-])c3cc(S(=O)(=O)NCCOP(=O)(O)O)ccc43)[nH]c2c(OC)c1OC
    InChI
    InChI=1S/C27H28BrN4O12PS/c1-41-22-9-14-8-19(30-24(14)26(43-3)25(22)42-2)27(33)31-13-15(12-28)23-17-5-4-16(10-18(17)20(32(34)35)11-21(23)31)46(39,40)29-6-7-44-45(36,37)38/h4-5,8-11,15,29-30H,6-7,12-13H2,1-3H3,(H2,36,37,38)
    MOLECULAR FORMULA
    C27H28BrN4O12PS
    CROSS REFERENCES
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    canSAR991144

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 742.03
    AlogP 3.78
    HBond donors 4
    HBond acceptors 16
    Atoms 74
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR991144.