
 CHEMBL168144

 87 91  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL168144

>  <PubChem CID>
44380248

>  <Formula>
C34H40Cl4N6O3

>  <Molecular Weight>
722.533000

>  <IUPAC Name>
3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-(2-imidazol-1-ylethoxyimino)-5-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]pentyl]-N-methylbenzamide

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(CC(=NOCCN1C=CN=C1)C(CCN2CCC(CC2)N3CCCCC3=O)C4=CC(=C(C=C4)Cl)Cl)C(=O)C5=CC(=CC(=C5)Cl)Cl

>  <Isomeric SMILES>
CN(C/C(=N\OCCN1C=CN=C1)/C(CCN2CCC(CC2)N3CCCCC3=O)C4=CC(=C(C=C4)Cl)Cl)C(=O)C5=CC(=CC(=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C34H40Cl4N6O3/c1-41(34(46)25-18-26(35)21-27(36)19-25)22-32(40-47-17-16-43-15-10-39-23-43)29(24-5-6-30(37)31(38)20-24)9-14-42-12-7-28(8-13-42)44-11-3-2-4-33(44)45/h5-6,10,15,18-21,23,28-29H,2-4,7-9,11-14,16-17,22H2,1H3/b40-32+

>  <InChI Key>
AOHIJPJMMHXDHP-GGPBTZDJSA-N

