
 CHEMBL78851

 86 90  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL78851

>  <PubChem CID>
44315576

>  <Formula>
C35H37Cl4N5O5

>  <Molecular Weight>
749.511000

>  <IUPAC Name>
methyl 2-[3-[1-[(3R,4Z)-5-[(3,5-dichlorobenzoyl)-methylamino]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetate

>  <XlogP>
7.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN(CC(=NOC)C(CCN1CCC(CC1)N2C3=CC=CC=C3N(C2=O)CC(=O)OC)C4=CC(=C(C=C4)Cl)Cl)C(=O)C5=CC(=CC(=C5)Cl)Cl

>  <Isomeric SMILES>
CN(C/C(=N\OC)/[C@H](CCN1CCC(CC1)N2C3=CC=CC=C3N(C2=O)CC(=O)OC)C4=CC(=C(C=C4)Cl)Cl)C(=O)C5=CC(=CC(=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C35H37Cl4N5O5/c1-41(34(46)23-16-24(36)19-25(37)17-23)20-30(40-49-3)27(22-8-9-28(38)29(39)18-22)12-15-42-13-10-26(11-14-42)44-32-7-5-4-6-31(32)43(35(44)47)21-33(45)48-2/h4-9,16-19,26-27H,10-15,20-21H2,1-3H3/b40-30+/t27-/m1/s1

>  <InChI Key>
AXOFNMUYIHBQIG-HSMZZXILSA-N

