
 CHEMBL84055

 96101  0  0  0  0  0  0  0  0999 V2000
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   13.1317   11.3242   -2.5350 H   0  0  0  0  0
   11.5610   11.8937   -1.9702 H   0  0  0  0  0
   12.2371    9.0622   -2.9277 H   0  0  0  0  0
   11.8535    9.5875   -1.2854 H   0  0  0  0  0
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    2.7977    4.9018    3.3942 H   0  0  0  0  0
    3.0773    6.9966    2.1782 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL84055

>  <PubChem CID>
44319340

>  <Formula>
C39H47Cl2N3O5

>  <Molecular Weight>
708.721000

>  <IUPAC Name>
[3-(3,4-dichlorophenyl)-3-[2-[4-phenyl-4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)N5CCCCC5)C6=CC(=C(C=C6)Cl)Cl

>  <Isomeric SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)N5CCCCC5)C6=CC(=C(C=C6)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C39H47Cl2N3O5/c1-47-33-24-28(25-34(48-2)35(33)49-3)36(45)44-23-15-38(27-44,30-12-13-31(40)32(41)26-30)14-20-42-21-16-39(17-22-42,29-10-6-4-7-11-29)37(46)43-18-8-5-9-19-43/h4,6-7,10-13,24-26H,5,8-9,14-23,27H2,1-3H3

>  <InChI Key>
LCDCUQMYABQNGI-UHFFFAOYSA-N

