
 CHEMBL66106

 77 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL66106

>  <PubChem CID>
9939307

>  <Formula>
C30H36Cl4N4O3

>  <Molecular Weight>
642.443000

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

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(CC(=NOC)C(CCN1CCC(CC1)N2CCCCC2=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC(=C4)Cl)Cl

>  <Isomeric SMILES>
CN(C/C(=N\OC)/C(CCN1CCC(CC1)N2CCCCC2=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC(=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C30H36Cl4N4O3/c1-36(30(40)21-15-22(31)18-23(32)16-21)19-28(35-41-2)25(20-6-7-26(33)27(34)17-20)10-14-37-12-8-24(9-13-37)38-11-4-3-5-29(38)39/h6-7,15-18,24-25H,3-5,8-14,19H2,1-2H3/b35-28+

>  <InChI Key>
CXFWIZDXIZCABO-AWQADKOQSA-N

