
 CHEMBL43297

 62 65  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL43297

>  <PubChem CID>
10623356

>  <Formula>
C26H29FN4O2

>  <Molecular Weight>
448.542000

>  <IUPAC Name>
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-N-pyridin-2-ylbenzamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC(=C1)C(=O)N(CCN2CCN(CC2)C3=CC=CC=C3OC)C4=CC=CC=N4)F

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)C(=O)N(CCN2CCN(CC2)C3=CC=CC=C3OC)C4=CC=CC=N4)F

>  <InChI Std. ID>
InChI=1S/C26H29FN4O2/c1-20-19-21(10-11-22(20)27)26(32)31(25-9-5-6-12-28-25)18-15-29-13-16-30(17-14-29)23-7-3-4-8-24(23)33-2/h3-12,19H,13-18H2,1-2H3

>  <InChI Key>
MWCWNEWLVWIYOH-UHFFFAOYSA-N

