
 CHEMBL313931

 94 99  0  0  0  0  0  0  0  0999 V2000
    7.4623    5.3156   -8.8946 C   0  0  0  0  0
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    7.0928   17.3524   -6.0450 H   0  0  0  0  0
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    5.8080   16.7019   -4.0613 H   0  0  0  0  0
    5.5037   15.5253   -5.3574 H   0  0  0  0  0
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    2.4398   11.9350   -8.6228 H   0  0  0  0  0
    3.1585   10.3692   -6.9164 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL313931

>  <PubChem CID>
44319308

>  <Formula>
C38H45Cl2N3O6

>  <Molecular Weight>
710.693000

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

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)N5CCOCC5)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)N5CCOCC5)C6=CC(=C(C=C6)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C38H45Cl2N3O6/c1-46-32-23-27(24-33(47-2)34(32)48-3)35(44)43-18-12-37(26-43,29-9-10-30(39)31(40)25-29)11-15-41-16-13-38(14-17-41,28-7-5-4-6-8-28)36(45)42-19-21-49-22-20-42/h4-10,23-25H,11-22,26H2,1-3H3

>  <InChI Key>
QNQBWJMVOBQXKB-UHFFFAOYSA-N

