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canSAR990789
FEATURES
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NAMES
    SMILES
    O=C(/C=C/c1ccc(OCCN2CCOCC2)cc1)N1CC(CBr)c2c1cc([N+](=O)[O-])c1cc(S(=O)(=O)NCCOP(=O)(O)O)ccc21
    InChI
    InChI=1S/C30H34BrN4O11PS/c31-19-22-20-34(29(36)8-3-21-1-4-23(5-2-21)45-16-12-33-10-14-44-15-11-33)28-18-27(35(37)38)26-17-24(6-7-25(26)30(22)28)48(42,43)32-9-13-46-47(39,40)41/h1-8,17-18,22,32H,9-16,19-20H2,(H2,39,40,41)/b8-3+
    MOLECULAR FORMULA
    C30H34BrN4O11PS
    CROSS REFERENCES
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    canSAR990789

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 768.09
    AlogP 3.39
    HBond donors 3
    HBond acceptors 15
    Atoms 82
    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 canSAR990789.