
 CHEMBL1813118

 61 65  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1813118

>  <PubChem CID>
10228100

>  <Formula>
C28H25FN2O5

>  <Molecular Weight>
488.515000

>  <IUPAC Name>
2-[5-fluoro-2-methyl-1-[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-3-yl]acetic acid

>  <XlogP>
5.400

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)OCC4CN(C5=CC=CC=C5O4)C)C=CC(=C2)F)CC(=O)O

>  <Isomeric SMILES>
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)OC[C@@H]4CN(C5=CC=CC=C5O4)C)C=CC(=C2)F)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C28H25FN2O5/c1-17-22(14-27(32)33)23-13-19(29)9-12-24(23)31(17)28(34)18-7-10-20(11-8-18)35-16-21-15-30(2)25-5-3-4-6-26(25)36-21/h3-13,21H,14-16H2,1-2H3,(H,32,33)/t21-/m0/s1

>  <InChI Key>
IIWBXJIMFARCEB-NRFANRHFSA-N

