
 CHEMBL66635

 84 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL66635

>  <PubChem CID>
44307758

>  <Formula>
C32H39Cl4N5O4

>  <Molecular Weight>
699.495000

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

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(CC(=NOC)C(CCN1CCC(CC1)N2CCCC(C2=O)CC(=O)N)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC(=C4)Cl)Cl

>  <Isomeric SMILES>
CN(C/C(=N\OC)/[C@@H](CCN1CCC(CC1)N2CCCC(C2=O)CC(=O)N)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC(=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C32H39Cl4N5O4/c1-39(31(43)22-14-23(33)18-24(34)15-22)19-29(38-45-2)26(20-5-6-27(35)28(36)16-20)9-13-40-11-7-25(8-12-40)41-10-3-4-21(32(41)44)17-30(37)42/h5-6,14-16,18,21,25-26H,3-4,7-13,17,19H2,1-2H3,(H2,37,42)/b38-29+/t21?,26-/m0/s1

>  <InChI Key>
AZJXZOMJEDHZHJ-JVCQONLDSA-N

