
 CHEMBL1682629

 78 82  0  0  0  0  0  0  0  0999 V2000
    5.0519   -2.5501    0.5935 C   0  0  0  0  0
    4.5400   -1.1360    0.5093 C   0  0  0  0  0
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    6.5361    2.2058   -2.0994 N   0  0  0  0  0
    5.8998    1.1519   -2.8986 C   0  0  0  0  0
    4.4004    0.9891   -2.6282 C   0  0  0  0  0
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    4.7054   -1.2608   -1.5235 H   0  0  0  0  0
    4.7420    1.6502    0.7751 H   0  0  0  0  0
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    6.7732    2.6896   -0.0407 H   0  0  0  0  0
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    6.0604    1.3404   -3.9677 H   0  0  0  0  0
    6.4125    0.2017   -2.7003 H   0  0  0  0  0
    3.8705    1.8841   -2.9821 H   0  0  0  0  0
    4.0394    0.1609   -3.2519 H   0  0  0  0  0
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    7.4016    4.4114   -1.0482 H   0  0  0  0  0
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    3.9786    5.7018   -2.2975 H   0  0  0  0  0
    5.0781    5.6784   -0.4453 H   0  0  0  0  0
    4.5283    7.3765   -0.3360 H   0  0  0  0  0
    4.9159    6.4197    1.1171 H   0  0  0  0  0
    6.9012    9.0855    0.4435 H   0  0  0  0  0
    8.1403    7.9902    1.0180 H   0  0  0  0  0
    7.1906    6.0660    2.7158 H   0  0  0  0  0
    6.0429    5.8664    4.8970 H   0  0  0  0  0
    4.6540    7.7374    5.7434 H   0  0  0  0  0
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    3.5889   10.6954    2.1765 H   0  0  0  0  0
    4.6321   11.9549    1.5005 H   0  0  0  0  0
    4.6922   11.6570    3.2386 H   0  0  0  0  0
    2.1792   -0.8826   -2.3202 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1682629

>  <PubChem CID>
53326864

>  <Formula>
C33H37Cl2N3O3

>  <Molecular Weight>
594.577000

>  <IUPAC Name>
2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)NC1(CCN(CC1)CC2CC2(C3=CC(=C(C=C3)Cl)Cl)C(=O)N(C)CC4=CC=CC=C4OC)C5=CC=CC=C5

>  <Isomeric SMILES>
CC(=O)NC1(CCN(CC1)CC2CC2(C3=CC(=C(C=C3)Cl)Cl)C(=O)N(C)CC4=CC=CC=C4OC)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C33H37Cl2N3O3/c1-23(39)36-32(25-10-5-4-6-11-25)15-17-38(18-16-32)22-27-20-33(27,26-13-14-28(34)29(35)19-26)31(40)37(2)21-24-9-7-8-12-30(24)41-3/h4-14,19,27H,15-18,20-22H2,1-3H3,(H,36,39)

>  <InChI Key>
BDROXNCOLLNVCM-UHFFFAOYSA-N

