
 CHEMBL1819619

 59 62  0  0  0  0  0  0  0  0999 V2000
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    2.9486    1.0001   -5.0902 O   0  0  0  0  0
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   -4.0601    1.9097    9.1448 H   0  0  0  0  0
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   -1.9566    1.7189   -1.7603 H   0  0  0  0  0
    2.1959    2.0760   -0.6857 H   0  0  0  0  0
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    2.0434    0.7789   -2.6744 H   0  0  0  0  0
    2.3481    2.4883   -3.0419 H   0  0  0  0  0
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  1 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1819619

>  <PubChem CID>
56682059

>  <Formula>
C26H25ClN2O5

>  <Molecular Weight>
480.945000

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

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=C(C=C1)CC(=O)O)NC(=O)C2=C(C=C(C=C2)OCC3CN(C4=CC=CC=C4O3)C)Cl

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)CC(=O)O)NC(=O)C2=C(C=C(C=C2)OC[C@@H]3CN(C4=CC=CC=C4O3)C)Cl

>  <InChI Std. ID>
InChI=1S/C26H25ClN2O5/c1-16-7-8-17(12-25(30)31)11-22(16)28-26(32)20-10-9-18(13-21(20)27)33-15-19-14-29(2)23-5-3-4-6-24(23)34-19/h3-11,13,19H,12,14-15H2,1-2H3,(H,28,32)(H,30,31)/t19-/m0/s1

>  <InChI Key>
VJRYDTORUXFXST-IBGZPJMESA-N

