
 CHEMBL554092

 84 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL554092

>  <PubChem CID>
45264730

>  <Formula>
C33H39Cl3N4O5

>  <Molecular Weight>
678.048000

>  <IUPAC Name>
1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCC(CC3)(C4=CN=CC=C4)C(=O)N)C5=CC(=C(C=C5)Cl)Cl.Cl

>  <Isomeric SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[C@](C2)(CCN3CCC(CC3)(C4=CN=CC=C4)C(=O)N)C5=CC(=C(C=C5)Cl)Cl.Cl

>  <InChI Std. ID>
InChI=1S/C33H38Cl2N4O5.ClH/c1-42-27-17-22(18-28(43-2)29(27)44-3)30(40)39-16-9-32(21-39,23-6-7-25(34)26(35)19-23)8-13-38-14-10-33(11-15-38,31(36)41)24-5-4-12-37-20-24;/h4-7,12,17-20H,8-11,13-16,21H2,1-3H3,(H2,36,41);1H/t32-;/m0./s1

>  <InChI Key>
GTYLIPNOJPRZAS-UCRKPPETSA-N

