
 CHEMBL318369

102107  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL318369

>  <PubChem CID>
10147218

>  <Formula>
C41H48Cl2N4O7

>  <Molecular Weight>
779.756000

>  <IUPAC Name>
ethyl 4-[2-[1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidine-4-carbonyl]benzimidazol-1-yl]butanoate

>  <XlogP>
7.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCOC(=O)CCCN1C2=CC=CC=C2N=C1C(=O)C3CCN(CC3)CCC4(CCN(C4)C(=O)C5=CC(=C(C(=C5)OC)OC)OC)C6=CC(=C(C=C6)Cl)Cl

>  <Isomeric SMILES>
CCOC(=O)CCCN1C2=CC=CC=C2N=C1C(=O)C3CCN(CC3)CCC4(CCN(C4)C(=O)C5=CC(=C(C(=C5)OC)OC)OC)C6=CC(=C(C=C6)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C41H48Cl2N4O7/c1-5-54-36(48)11-8-18-47-33-10-7-6-9-32(33)44-39(47)37(49)27-14-19-45(20-15-27)21-16-41(29-12-13-30(42)31(43)25-29)17-22-46(26-41)40(50)28-23-34(51-2)38(53-4)35(24-28)52-3/h6-7,9-10,12-13,23-25,27H,5,8,11,14-22,26H2,1-4H3

>  <InChI Key>
CUKBOHPSSFJJFQ-UHFFFAOYSA-N

