
 CHEMBL1813275

 64 68  0  0  0  0  0  0  0  0999 V2000
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    5.5281   -0.0246    1.0668 H   0  0  0  0  0
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    3.6000   -3.8743   -0.2772 H   0  0  0  0  0
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    5.2771   -5.7048   -2.0362 H   0  0  0  0  0
    6.7259   -4.7649   -6.1703 H   0  0  0  0  0
    8.9840   -3.8697   -6.4027 H   0  0  0  0  0
   10.1204   -2.7867   -4.4806 H   0  0  0  0  0
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    3.7855   -6.2237   -4.4776 H   0  0  0  0  0
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   -0.0218    1.2714    2.6118 H   0  0  0  0  0
  1  2  1  0  0  0
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  6  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1813275

>  <PubChem CID>
10300724

>  <Formula>
C29H27FN2O5

>  <Molecular Weight>
502.542000

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

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C=CC(=C1)OCC2CN(C3=CC=CC=C3O2)C)C(=O)N4C(=C(C5=C4C=CC(=C5)F)CC(=O)O)C

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)OC[C@@H]2CN(C3=CC=CC=C3O2)C)C(=O)N4C(=C(C5=C4C=CC(=C5)F)CC(=O)O)C

>  <InChI Std. ID>
InChI=1S/C29H27FN2O5/c1-17-12-20(36-16-21-15-31(3)26-6-4-5-7-27(26)37-21)9-10-22(17)29(35)32-18(2)23(14-28(33)34)24-13-19(30)8-11-25(24)32/h4-13,21H,14-16H2,1-3H3,(H,33,34)/t21-/m0/s1

>  <InChI Key>
NWROVNNECRYPKB-NRFANRHFSA-N

