
 CHEMBL603633

 52 55  0  0  0  0  0  0  0  0999 V2000
   -3.5077    1.6988   -2.5546 C   0  0  0  0  0
   -4.1911    2.7488   -3.1606 C   0  0  0  0  0
   -5.3751    3.2290   -2.5966 C   0  0  0  0  0
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   -7.0821    3.1320   -0.8373 C   0  0  0  0  0
   -7.5776    2.5712    0.3483 C   0  0  0  0  0
   -6.8615    1.5395    0.9621 C   0  0  0  0  0
   -5.6841    1.0561    0.3903 C   0  0  0  0  0
   -5.1857    1.6090   -0.7965 C   0  0  0  0  0
   -4.0020    1.1308   -1.3802 C   0  0  0  0  0
   -8.8696    3.0611    0.9523 C   0  0  0  0  0
  -10.1206    2.4688    0.2934 C   0  0  0  0  0
  -10.1998    1.0652    0.5809 O   0  0  0  0  0
  -11.3099    0.3990    0.1319 C   0  0  0  0  0
  -11.2043   -0.9523   -0.2358 C   0  0  0  0  0
  -12.3566   -1.6504   -0.6315 C   0  0  0  0  0
  -13.6106   -1.0433   -0.6306 C   0  0  0  0  0
  -13.7384    0.2841   -0.2227 C   0  0  0  0  0
  -12.5813    0.9974    0.1391 C   0  0  0  0  0
  -15.0986    0.9368   -0.1469 C   0  0  0  0  0
  -15.4387    1.3429    1.2130 N   0  0  0  0  0
  -15.5447    0.5375    2.3146 C   0  0  0  0  0
  -15.9217    1.3561    3.3526 C   0  0  0  0  0
  -16.0279    2.6347    2.7772 C   0  0  0  0  0
  -15.7312    2.6348    1.4751 N   0  0  0  0  0
  -10.0997   -1.7608   -0.2479 O   0  0  0  0  0
   -8.8117   -1.1904   -0.0157 C   0  0  0  0  0
   -7.8089   -2.3357    0.0154 C   0  0  0  0  0
   -6.5944   -2.2017   -0.0181 O   0  0  0  0  0
   -8.3983   -3.5525    0.1551 O   0  0  0  0  0
   -2.5889    1.3193   -2.9942 H   0  0  0  0  0
   -3.8049    3.1934   -4.0736 H   0  0  0  0  0
   -5.8952    4.0485   -3.0870 H   0  0  0  0  0
   -7.6286    3.9422   -1.3157 H   0  0  0  0  0
   -7.2215    1.0910    1.8853 H   0  0  0  0  0
   -5.1619    0.2333    0.8757 H   0  0  0  0  0
   -3.4582    0.3082   -0.9210 H   0  0  0  0  0
   -8.8993    4.1551    0.8735 H   0  0  0  0  0
   -8.8770    2.8284    2.0248 H   0  0  0  0  0
  -10.1083    2.6234   -0.7921 H   0  0  0  0  0
  -10.9713    3.0027    0.7269 H   0  0  0  0  0
  -12.2771   -2.6933   -0.9331 H   0  0  0  0  0
  -14.4807   -1.6250   -0.9275 H   0  0  0  0  0
  -12.7159    2.0198    0.4823 H   0  0  0  0  0
  -15.1232    1.8230   -0.7914 H   0  0  0  0  0
  -15.8944    0.2581   -0.4741 H   0  0  0  0  0
  -15.3374   -0.5225    2.2688 H   0  0  0  0  0
  -16.0975    1.0705    4.3798 H   0  0  0  0  0
  -16.3093    3.5657    3.2526 H   0  0  0  0  0
   -8.5471   -0.5140   -0.8337 H   0  0  0  0  0
   -8.7662   -0.7290    0.9729 H   0  0  0  0  0
   -9.3736   -3.4332    0.1551 H   0  0  0  0  0
  1  2  2  0  0  0
  1 10  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  4  2  0  0  0
  3 33  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  9 10  2  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
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 12 41  1  0  0  0
 13 14  1  0  0  0
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 14 19  1  0  0  0
 15 16  1  0  0  0
 15 26  1  0  0  0
 16 17  2  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
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 18 19  2  0  0  0
 18 20  1  0  0  0
 19 44  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 20 46  1  0  0  0
 21 22  1  0  0  0
 21 25  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
 23 48  1  0  0  0
 24 25  2  0  0  0
 24 49  1  0  0  0
 26 27  1  0  0  0
 27 28  1  0  0  0
 27 50  1  0  0  0
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 28 30  1  0  0  0
 28 29  2  0  0  0
 30 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL603633

>  <PubChem CID>
10272453

>  <Formula>
C24H22N2O4

>  <Molecular Weight>
402.450000

>  <IUPAC Name>
2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenoxy]acetic acid

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CN4C=CC=N4)OCC(=O)O

>  <Isomeric SMILES>
C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CN4C=CC=N4)OCC(=O)O

>  <InChI Std. ID>
InChI=1S/C24H22N2O4/c27-24(28)17-30-22-9-7-19(16-26-12-3-11-25-26)15-23(22)29-13-10-18-6-8-20-4-1-2-5-21(20)14-18/h1-9,11-12,14-15H,10,13,16-17H2,(H,27,28)

>  <InChI Key>
JUZWEMPFFFBUCL-UHFFFAOYSA-N

