
 CHEMBL1915676

 62 65  0  0  0  0  0  0  0  0999 V2000
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    9.9113    2.9900   -1.5800 O   0  0  0  0  0
    3.1043    0.4720   -2.7124 Cl  0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1915676

>  <PubChem CID>
11352417

>  <Formula>
C27H27ClN2O5

>  <Molecular Weight>
494.972000

>  <IUPAC Name>
2-[4-chloro-3-[[2,3-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=C(C=CC(=C1C)OCC2CN(C3=CC=CC=C3O2)C)C(=O)NC4=C(C=CC(=C4)CC(=O)O)Cl

>  <Isomeric SMILES>
CC1=C(C=CC(=C1C)OC[C@@H]2CN(C3=CC=CC=C3O2)C)C(=O)NC4=C(C=CC(=C4)CC(=O)O)Cl

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

>  <InChI Key>
ATEWBGFTNCNDLW-IBGZPJMESA-N

