
 CHEMBL322194

 97102  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL322194

>  <PubChem CID>
10122529

>  <Formula>
C39H48N4O6

>  <Molecular Weight>
668.835000

>  <IUPAC Name>
[1-(2-ethoxyethyl)benzimidazol-2-yl]-[1-[2-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]methanone

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCOCCN1C2=CC=CC=C2N=C1C(=O)C3CCN(CC3)CCC4(CCN(C4)C(=O)C5=CC(=C(C(=C5)OC)OC)OC)C6=CC=CC=C6

>  <Isomeric SMILES>
CCOCCN1C2=CC=CC=C2N=C1C(=O)C3CCN(CC3)CCC4(CCN(C4)C(=O)C5=CC(=C(C(=C5)OC)OC)OC)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C39H48N4O6/c1-5-49-24-23-43-32-14-10-9-13-31(32)40-37(43)35(44)28-15-19-41(20-16-28)21-17-39(30-11-7-6-8-12-30)18-22-42(27-39)38(45)29-25-33(46-2)36(48-4)34(26-29)47-3/h6-14,25-26,28H,5,15-24,27H2,1-4H3

>  <InChI Key>
ADZSGFZICHOKOJ-UHFFFAOYSA-N

