
 CHEMBL446146

 90 93  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL446146

>  <PubChem CID>
9875181

>  <Formula>
C34H43Cl4N5O4

>  <Molecular Weight>
727.549000

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

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)C(=O)CC1CCCN(C1=O)C2CCN(CC2)CCC(C3=CC(=C(C=C3)Cl)Cl)C(=NOC)CN(C)C(=O)C4=CC(=CC(=C4)Cl)Cl

>  <Isomeric SMILES>
CN(C)C(=O)CC1CCCN(C1=O)C2CCN(CC2)CCC(C3=CC(=C(C=C3)Cl)Cl)/C(=N/OC)/CN(C)C(=O)C4=CC(=CC(=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+

>  <InChI Key>
KSKVAYCSTHFCER-KGHBKMJJSA-N

