
 CHEMBL1915677

 62 65  0  0  0  0  0  0  0  0999 V2000
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    5.9674    5.4210    0.7136 O   0  0  0  0  0
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    7.0133   -1.4598   -0.1443 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
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  4  5  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1915677

>  <PubChem CID>
11260449

>  <Formula>
C27H27ClN2O5

>  <Molecular Weight>
494.972000

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

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=C(C=C1C(=O)NC2=C(C=CC(=C2)CC(=O)O)Cl)C)OCC3CN(C4=CC=CC=C4O3)C

>  <Isomeric SMILES>
CC1=CC(=C(C=C1C(=O)NC2=C(C=CC(=C2)CC(=O)O)Cl)C)OC[C@@H]3CN(C4=CC=CC=C4O3)C

>  <InChI Std. ID>
InChI=1S/C27H27ClN2O5/c1-16-11-25(34-15-19-14-30(3)23-6-4-5-7-24(23)35-19)17(2)10-20(16)27(33)29-22-12-18(13-26(31)32)8-9-21(22)28/h4-12,19H,13-15H2,1-3H3,(H,29,33)(H,31,32)/t19-/m0/s1

>  <InChI Key>
SNYPIGRUBSRSAK-IBGZPJMESA-N

