
 CHEMBL1813279

 65 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1813279

>  <PubChem CID>
56678560

>  <Formula>
C29H27FN2O6

>  <Molecular Weight>
518.541000

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

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

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

>  <InChI Std. ID>
InChI=1S/C29H27FN2O6/c1-17-21(14-28(33)34)22-13-19(30)9-10-23(22)32(17)29(35)18-8-11-26(27(12-18)36-3)37-16-20-15-31(2)24-6-4-5-7-25(24)38-20/h4-13,20H,14-16H2,1-3H3,(H,33,34)/t20-/m0/s1

>  <InChI Key>
OEQZRFMZVOYSAY-FQEVSTJZSA-N

