
 CHEMBL210923

 91 96  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL210923

>  <PubChem CID>
44413072

>  <Formula>
C38H44N4O5

>  <Molecular Weight>
636.793000

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

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(CC(C1)N(CC2=CC=CC=C2)C(=O)C3=CC=CO3)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=CO3)CN(C4=CC(=CC=C4)OCCN5CCOCC5)C(=O)NC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C38H44N4O5/c43-37(36-18-9-22-47-36)41(28-30-10-3-1-4-11-30)33-15-7-12-31(26-33)29-42(38(44)39-32-13-5-2-6-14-32)34-16-8-17-35(27-34)46-25-21-40-19-23-45-24-20-40/h1-6,8-11,13-14,16-18,22,27,31,33H,7,12,15,19-21,23-26,28-29H2,(H,39,44)

>  <InChI Key>
FOWBIQIEPIBKKC-UHFFFAOYSA-N

