
 CHEMBL210899

 96101  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  23   1  25  -1
M  END

>  <Chemical Name>
CHEMBL210899

>  <PubChem CID>
10122749

>  <Formula>
C40H45N5O6

>  <Molecular Weight>
691.829000

>  <IUPAC Name>
N-benzyl-N-[3-[[3-(2-morpholin-4-ylethoxy)-N-(phenylcarbamoyl)anilino]methyl]cyclohexyl]-3-nitrobenzamide

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC(CC(C1)N(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])CN(C4=CC(=CC=C4)OCCN5CCOCC5)C(=O)NC6=CC=CC=C6

>  <Isomeric SMILES>
C1CC(CC(C1)N(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])CN(C4=CC(=CC=C4)OCCN5CCOCC5)C(=O)NC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C40H45N5O6/c46-39(33-13-8-18-37(27-33)45(48)49)43(29-31-10-3-1-4-11-31)35-16-7-12-32(26-35)30-44(40(47)41-34-14-5-2-6-15-34)36-17-9-19-38(28-36)51-25-22-42-20-23-50-24-21-42/h1-6,8-11,13-15,17-19,27-28,32,35H,7,12,16,20-26,29-30H2,(H,41,47)

>  <InChI Key>
AEZJPJAVMUUMLW-UHFFFAOYSA-N

