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canSAR1517332
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NAMES
    SMILES
    CN1CCC(Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)OC5)CC4)cc3Oc3cccc(F)c3F)cc2[N+](=O)[O-])CC1
    InChI
    InChI=1S/C43H47ClF2N6O7S/c1-43(2)25-35(28-7-9-30(44)10-8-28)29(27-58-43)26-50-19-21-51(22-20-50)32-11-13-34(40(23-32)59-39-6-4-5-36(45)41(39)46)42(53)48-60(56,57)33-12-14-37(38(24-33)52(54)55)47-31-15-17-49(3)18-16-31/h4-14,23-24,31,47H,15-22,25-27H2,1-3H3,(H,48,53)
    MOLECULAR FORMULA
    C43H47ClF2N6O7S
    CROSS REFERENCES
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    canSAR1517332

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 864.29
    AlogP 7.72
    HBond donors 2
    HBond acceptors 13
    Atoms 107
    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 canSAR1517332.