
 CHEMBL60504

 95 99  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL60504

>  <PubChem CID>
44307898

>  <Formula>
C36H45Cl4N5O5

>  <Molecular Weight>
769.586000

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

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN(CC(=NOC)C(CCN1CCC(CC1)N2CCCC(C2=O)CC(=O)N3CCOCC3)C4=CC(=C(C=C4)Cl)Cl)C(=O)C5=CC(=CC(=C5)Cl)Cl

>  <Isomeric SMILES>
CN(C/C(=N\OC)/[C@H](CCN1CCC(CC1)N2CCCC(C2=O)CC(=O)N3CCOCC3)C4=CC(=C(C=C4)Cl)Cl)C(=O)C5=CC(=CC(=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C36H45Cl4N5O5/c1-42(35(47)26-18-27(37)22-28(38)19-26)23-33(41-49-2)30(24-5-6-31(39)32(40)20-24)9-13-43-11-7-29(8-12-43)45-10-3-4-25(36(45)48)21-34(46)44-14-16-50-17-15-44/h5-6,18-20,22,25,29-30H,3-4,7-17,21,23H2,1-2H3/b41-33+/t25?,30-/m1/s1

>  <InChI Key>
JMBOHNIWYYCZCP-XNMHLFPNSA-N

