
 CHEMBL146253

 51 54  0  0  0  0  0  0  0  0999 V2000
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    2.3803    0.5325    1.0701 H   0  0  0  0  0
    3.1295   -2.4339    0.7425 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL146253

>  <PubChem CID>
10068466

>  <Formula>
C22H23FN2O3

>  <Molecular Weight>
382.435000

>  <IUPAC Name>
3-[4-(8-fluoro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidin-1-yl]-2-methylpropanoic acid

>  <XlogP>
0.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(CN1CCC(=C2C3=C(C=C(C=C3)F)OCC4=C2N=CC=C4)CC1)C(=O)O

>  <Isomeric SMILES>
CC(CN1CCC(=C2C3=C(C=C(C=C3)F)OCC4=C2N=CC=C4)CC1)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H23FN2O3/c1-14(22(26)27)12-25-9-6-15(7-10-25)20-18-5-4-17(23)11-19(18)28-13-16-3-2-8-24-21(16)20/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3,(H,26,27)

>  <InChI Key>
GYFNWATWLSITGL-UHFFFAOYSA-N

