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canSAR1518627
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NAMES
    SMILES
    COc1ccc(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-])cc1O
    InChI
    InChI=1S/C47H47ClN6O8S/c1-47(2)18-16-32(39(28-47)30-4-6-33(48)7-5-30)29-52-20-22-53(23-21-52)35-9-12-38(45(26-35)62-36-10-13-40-31(24-36)17-19-49-40)46(56)51-63(59,60)37-11-14-41(42(27-37)54(57)58)50-34-8-15-44(61-3)43(55)25-34/h4-15,17,19,24-27,49-50,55H,16,18,20-23,28-29H2,1-3H3,(H,51,56)
    MOLECULAR FORMULA
    C47H47ClN6O8S
    CROSS REFERENCES
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    canSAR1518627

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 890.29
    AlogP 9.88
    HBond donors 4
    HBond acceptors 14
    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 canSAR1518627.