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canSAR1769528
FEATURES
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NAMES
    SMILES
    CN1CC[C@H](Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3ccc4[nH]ccc4c3)cc2[N+](=O)[O-])C1
    InChI
    InChI=1S/C45H50ClN7O6S/c1-45(2)17-14-32(39(27-45)30-4-6-33(46)7-5-30)28-51-20-22-52(23-21-51)35-8-11-38(43(25-35)59-36-9-12-40-31(24-36)15-18-47-40)44(54)49-60(57,58)37-10-13-41(42(26-37)53(55)56)48-34-16-19-50(3)29-34/h4-13,15,18,24-26,34,47-48H,14,16-17,19-23,27-29H2,1-3H3,(H,49,54)/t34-/m0/s1
    MOLECULAR FORMULA
    C45H50ClN7O6S
    CROSS REFERENCES
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    canSAR1769528

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 851.32
    AlogP 8.54
    HBond donors 3
    HBond acceptors 13
    Atoms 110
    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 canSAR1769528.