
 CHEMBL199119

 89 93  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL199119

>  <PubChem CID>
44404641

>  <Formula>
C38H43N3O4S

>  <Molecular Weight>
637.839000

>  <IUPAC Name>
N-[4-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]phenyl]benzamide

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(C1CCN(CC1)CCC(C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)CC5=CC=C(C=C5)S(=O)(=O)C

>  <Isomeric SMILES>
CCN(C1CCN(CC1)CCC(C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)CC5=CC=C(C=C5)S(=O)(=O)C

>  <InChI Std. ID>
InChI=1S/C38H43N3O4S/c1-3-41(37(42)28-29-14-20-35(21-15-29)46(2,44)45)34-22-25-40(26-23-34)27-24-36(30-10-6-4-7-11-30)31-16-18-33(19-17-31)39-38(43)32-12-8-5-9-13-32/h4-21,34,36H,3,22-28H2,1-2H3,(H,39,43)

>  <InChI Key>
ADHWTRBZUSJYJU-UHFFFAOYSA-N

