
 CHEMBL1819606

 59 62  0  0  0  0  0  0  0  0999 V2000
    4.7873   -2.7093    7.5937 C   0  0  0  0  0
    5.1896   -2.8433    6.1973 N   0  0  0  0  0
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   11.0710   -7.1612   -3.7475 O   0  0  0  0  0
   12.0625   -5.4189   -2.7675 O   0  0  0  0  0
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    9.0868    0.2955    4.3440 H   0  0  0  0  0
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    7.2375   -1.7400    7.6185 H   0  0  0  0  0
    2.9931   -2.5573    2.6834 H   0  0  0  0  0
    2.7809   -4.2151    3.2092 H   0  0  0  0  0
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   11.8185   -5.0853   -3.6565 H   0  0  0  0  0
  1  2  1  0  0  0
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  2  3  1  0  0  0
  2 11  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1819606

>  <PubChem CID>
56672018

>  <Formula>
C26H26N2O5

>  <Molecular Weight>
446.503000

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

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CC(OC2=CC=CC=C21)COC3=CC=C(C=C3)C(=O)N(C)C4=CC=CC(=C4)CC(=O)O

>  <Isomeric SMILES>
CN1C[C@H](OC2=CC=CC=C21)COC3=CC=C(C=C3)C(=O)N(C)C4=CC=CC(=C4)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C26H26N2O5/c1-27-16-22(33-24-9-4-3-8-23(24)27)17-32-21-12-10-19(11-13-21)26(31)28(2)20-7-5-6-18(14-20)15-25(29)30/h3-14,22H,15-17H2,1-2H3,(H,29,30)/t22-/m0/s1

>  <InChI Key>
FEGSJJBRMHDBTF-QFIPXVFZSA-N

