
 CHEMBL287369

 88 92  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL287369

>  <PubChem CID>
44380290

>  <Formula>
C33H40Cl4N8O3

>  <Molecular Weight>
738.536000

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

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CN(CC(=NOCCCN1C=NN=N1)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\OCCCN1C=NN=N1)/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/C33H40Cl4N8O3/c1-42(33(47)24-17-25(34)20-26(35)18-24)21-31(39-48-16-4-11-44-22-38-40-41-44)28(23-6-7-29(36)30(37)19-23)10-15-43-13-8-27(9-14-43)45-12-3-2-5-32(45)46/h6-7,17-20,22,27-28H,2-5,8-16,21H2,1H3/b39-31+

>  <InChI Key>
APJZDXPRSIKPNZ-KGHBKMJJSA-N

