
 CHEMBL94726

100107  0  0  0  0  0  0  0  0999 V2000
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    2.1045    2.6944   -2.2575 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL94726

>  <PubChem CID>
10190638

>  <Formula>
C43H45FN4O7

>  <Molecular Weight>
748.852000

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

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
COC1=C(C(=C(C=C1)C(=O)N2CCC(C2)(CCN3CCC(CC3)C(=O)C4=NC5=CC=CC=C5N4CC6=CC=C(C=C6)F)C7=CC8=C(C=C7)OCO8)OC)OC

>  <Isomeric SMILES>
COC1=C(C(=C(C=C1)C(=O)N2CCC(C2)(CCN3CCC(CC3)C(=O)C4=NC5=CC=CC=C5N4CC6=CC=C(C=C6)F)C7=CC8=C(C=C7)OCO8)OC)OC

>  <InChI Std. ID>
InChI=1S/C43H45FN4O7/c1-51-36-15-13-32(39(52-2)40(36)53-3)42(50)47-23-19-43(26-47,30-10-14-35-37(24-30)55-27-54-35)18-22-46-20-16-29(17-21-46)38(49)41-45-33-6-4-5-7-34(33)48(41)25-28-8-11-31(44)12-9-28/h4-15,24,29H,16-23,25-27H2,1-3H3

>  <InChI Key>
CTPOZVITFCJCLL-UHFFFAOYSA-N

