
 CHEMBL388204

 70 73  0  0  0  0  0  0  0  0999 V2000
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   11.5579  -11.7513   -2.3190 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL388204

>  <PubChem CID>
44430533

>  <Formula>
C28H37N3O2

>  <Molecular Weight>
447.623000

>  <IUPAC Name>
2-cyclohexyl-2-(4-methylphenyl)-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=C(C=C1)C(C2CCCCC2)C(=O)NC3CCN(CC3)C(=O)CCC4=CN=CC=C4

>  <Isomeric SMILES>
CC1=CC=C(C=C1)C(C2CCCCC2)C(=O)NC3CCN(CC3)C(=O)CCC4=CN=CC=C4

>  <InChI Std. ID>
InChI=1S/C28H37N3O2/c1-21-9-12-24(13-10-21)27(23-7-3-2-4-8-23)28(33)30-25-15-18-31(19-16-25)26(32)14-11-22-6-5-17-29-20-22/h5-6,9-10,12-13,17,20,23,25,27H,2-4,7-8,11,14-16,18-19H2,1H3,(H,30,33)

>  <InChI Key>
MGXOJHNGMQFIDT-UHFFFAOYSA-N

