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canSAR1496437
FEATURES
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NAMES
    SMILES
    CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cccc4[nH]ccc34)cc2[N+](=O)[O-])CC1
    InChI
    InChI=1S/C46H52ClN7O6S/c1-46(2)19-15-32(39(29-46)31-7-9-33(47)10-8-31)30-52-23-25-53(26-24-52)35-11-13-38(44(27-35)60-43-6-4-5-40-37(43)16-20-48-40)45(55)50-61(58,59)36-12-14-41(42(28-36)54(56)57)49-34-17-21-51(3)22-18-34/h4-14,16,20,27-28,34,48-49H,15,17-19,21-26,29-30H2,1-3H3,(H,50,55)
    MOLECULAR FORMULA
    C46H52ClN7O6S
    CROSS REFERENCES
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    canSAR1496437

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 865.34
    AlogP 8.93
    HBond donors 3
    HBond acceptors 13
    Atoms 113
    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 canSAR1496437.