
 CHEMBL1819603

 56 59  0  0  0  0  0  0  0  0999 V2000
    6.0550   -4.3204    7.5133 C   0  0  0  0  0
    4.7963   -4.3075    6.7775 N   0  0  0  0  0
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    3.5845   -4.3269    7.4920 C   0  0  0  0  0
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    4.4975   -5.3034    2.6719 O   0  0  0  0  0
    4.9988   -6.2701    1.8476 C   0  0  0  0  0
    6.3499   -6.1400    1.5187 C   0  0  0  0  0
    6.9769   -7.0934    0.7125 C   0  0  0  0  0
    6.2474   -8.1819    0.2243 C   0  0  0  0  0
    4.8748   -8.2723    0.4998 C   0  0  0  0  0
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    6.9524   -9.2192   -0.5873 C   0  0  0  0  0
    7.9015   -8.8808   -1.2804 O   0  0  0  0  0
    6.4517  -10.4977   -0.4253 N   0  0  0  0  0
    6.8442  -11.6752   -1.0896 C   0  0  0  0  0
    7.8430  -11.7340   -2.0591 C   0  0  0  0  0
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    5.8215  -15.6871    0.4761 C   0  0  0  0  0
    4.9185  -15.6629    1.2979 O   0  0  0  0  0
    7.0647  -16.0611    0.8357 O   0  0  0  0  0
    6.9031   -4.3708    6.8208 H   0  0  0  0  0
    6.1170   -5.1878    8.1798 H   0  0  0  0  0
    6.1868   -3.4015    8.0932 H   0  0  0  0  0
    5.6149   -4.8905    4.9352 H   0  0  0  0  0
    4.8353   -6.1948    5.8505 H   0  0  0  0  0
    3.3609   -3.8145    4.5556 H   0  0  0  0  0
    0.2849   -5.2056    7.1177 H   0  0  0  0  0
    0.1878   -4.3880    9.4576 H   0  0  0  0  0
    2.2403   -3.4989   10.5330 H   0  0  0  0  0
    4.3551   -3.4417    9.3188 H   0  0  0  0  0
    2.4670   -5.5381    2.9928 H   0  0  0  0  0
    3.4677   -6.7701    3.7826 H   0  0  0  0  0
    6.9228   -5.2998    1.9041 H   0  0  0  0  0
    8.0344   -6.9908    0.4769 H   0  0  0  0  0
    4.2665   -9.0645    0.0716 H   0  0  0  0  0
    3.1871   -7.4064    1.4975 H   0  0  0  0  0
    5.7434  -10.6245    0.2841 H   0  0  0  0  0
    8.3986  -10.8516   -2.3594 H   0  0  0  0  0
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    5.3686  -12.8157    0.0020 H   0  0  0  0  0
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    4.6397  -15.1707   -1.2121 H   0  0  0  0  0
    7.0013  -16.2310    1.7984 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 12  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  8  9  2  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
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 12 13  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1819603

>  <PubChem CID>
11224239

>  <Formula>
C25H24N2O5

>  <Molecular Weight>
432.476000

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

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CC(OC2=CC=CC=C21)COC3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)CC(=O)O

>  <Isomeric SMILES>
CN1C[C@H](OC2=CC=CC=C21)COC3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C25H24N2O5/c1-27-15-21(32-23-8-3-2-7-22(23)27)16-31-20-11-9-18(10-12-20)25(30)26-19-6-4-5-17(13-19)14-24(28)29/h2-13,21H,14-16H2,1H3,(H,26,30)(H,28,29)/t21-/m0/s1

>  <InChI Key>
OZLBZTVVEQQRSA-NRFANRHFSA-N

