
 CHEMBL38413

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL38413

>  <PubChem CID>
10048892

>  <Formula>
C25H33FN4O2

>  <Molecular Weight>
440.563000

>  <IUPAC Name>
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCC(CC4)F

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCC(CC4)F

>  <InChI Std. ID>
InChI=1S/C25H33FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-8,13,20-21H,9-12,14-19H2,1H3

>  <InChI Key>
JQSMVIQRTYWIED-UHFFFAOYSA-N

