
 CHEMBL3330548

 58 61  0  0  0  0  0  0  0  0999 V2000
    6.1545    2.4045    1.1842 C   0  0  0  0  0
    5.3531    1.2324    0.6955 C   0  0  0  0  0
    3.9912    1.3297    0.3816 C   0  0  0  0  0
    3.2769    0.1984   -0.0154 C   0  0  0  0  0
    3.9229   -1.0349   -0.1395 C   0  0  0  0  0
    5.2946   -1.1675    0.1316 C   0  0  0  0  0
    5.9921   -0.0107    0.5313 C   0  0  0  0  0
    5.9738   -2.4789    0.0440 C   0  0  0  0  0
    5.7060   -3.3808   -1.0013 C   0  0  0  0  0
    6.3140   -4.6415   -1.0596 C   0  0  0  0  0
    7.2429   -5.0037   -0.0864 C   0  0  0  0  0
    7.5361   -4.1232    0.9531 C   0  0  0  0  0
    6.9009   -2.8813    1.0215 C   0  0  0  0  0
    5.9387   -5.4188   -2.1219 O   0  0  0  0  0
    6.1377   -6.8200   -1.9667 C   0  0  0  0  0
    3.2635    2.4849    0.5564 O   0  0  0  0  0
    3.5771    3.5668   -0.2342 C   0  0  0  0  0
    3.4367    4.8192    0.3587 C   0  0  0  0  0
    3.7431    5.9804   -0.3609 C   0  0  0  0  0
    4.1771    5.9244   -1.6945 C   0  0  0  0  0
    4.2649    4.6485   -2.2802 C   0  0  0  0  0
    3.9720    3.4794   -1.5652 C   0  0  0  0  0
    4.4926    7.0707   -2.4217 N   0  0  0  0  0
    4.7162    8.4058   -1.8614 C   0  0  0  0  0
    4.7127    9.2778   -3.1197 C   0  0  0  0  0
    4.9111    8.2288   -4.1710 C   0  0  0  0  0
    4.7653    7.0046   -3.7570 N   0  0  0  0  0
    5.2129    8.6254   -5.5862 C   0  0  0  0  0
    6.4318    8.1876   -6.0006 F   0  0  0  0  0
    4.2998    8.1507   -6.4744 F   0  0  0  0  0
    5.2245    9.9788   -5.7437 F   0  0  0  0  0
    6.0562    8.4539   -1.1286 C   0  0  0  0  0
    6.1917    9.7581   -0.4120 C   0  0  0  0  0
    6.5914   10.8039   -0.8968 O   0  0  0  0  0
    5.7615    9.7091    0.8605 O   0  0  0  0  0
    5.5750    3.0096    1.8884 H   0  0  0  0  0
    6.4747    3.0249    0.3421 H   0  0  0  0  0
    7.0490    2.0718    1.7221 H   0  0  0  0  0
    2.2115    0.2734   -0.2171 H   0  0  0  0  0
    3.3323   -1.9023   -0.4276 H   0  0  0  0  0
    7.0601   -0.0782    0.7349 H   0  0  0  0  0
    5.0070   -3.1101   -1.7901 H   0  0  0  0  0
    7.7604   -5.9561   -0.1160 H   0  0  0  0  0
    8.2573   -4.4043    1.7165 H   0  0  0  0  0
    7.1303   -2.2296    1.8623 H   0  0  0  0  0
    5.6458   -7.3223   -2.8051 H   0  0  0  0  0
    5.6781   -7.1868   -1.0421 H   0  0  0  0  0
    7.2015   -7.0742   -2.0058 H   0  0  0  0  0
    3.1002    4.8950    1.3891 H   0  0  0  0  0
    3.6228    6.9312    0.1485 H   0  0  0  0  0
    4.5812    4.5535   -3.3174 H   0  0  0  0  0
    4.0594    2.5189   -2.0642 H   0  0  0  0  0
    3.8946    8.7195   -1.2065 H   0  0  0  0  0
    5.4996   10.0332   -3.1570 H   0  0  0  0  0
    3.7382    9.7500   -3.2809 H   0  0  0  0  0
    6.9062    8.3392   -1.8116 H   0  0  0  0  0
    6.1537    7.6456   -0.3950 H   0  0  0  0  0
    5.9163   10.6120    1.2138 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  4  5  2  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 41  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 43  1  0  0  0
 12 13  2  0  0  0
 12 44  1  0  0  0
 13 45  1  0  0  0
 14 15  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
 15 48  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
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 19 20  2  0  0  0
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 24 25  1  0  0  0
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 25 55  1  0  0  0
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 26 28  1  0  0  0
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 28 30  1  0  0  0
 28 29  1  0  0  0
 32 33  1  0  0  0
 32 56  1  0  0  0
 32 57  1  0  0  0
 33 35  1  0  0  0
 33 34  2  0  0  0
 35 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3330548

>  <PubChem CID>
75204006

>  <Formula>
C26H23F3N2O4

>  <Molecular Weight>
484.475000

>  <IUPAC Name>
2-[2-[4-[4-(3-methoxyphenyl)-2-methylphenoxy]phenyl]-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C=CC(=C1)C2=CC(=CC=C2)OC)OC3=CC=C(C=C3)N4C(CC(=N4)C(F)(F)F)CC(=O)O

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)C2=CC(=CC=C2)OC)OC3=CC=C(C=C3)N4C(CC(=N4)C(F)(F)F)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C26H23F3N2O4/c1-16-12-18(17-4-3-5-22(13-17)34-2)6-11-23(16)35-21-9-7-19(8-10-21)31-20(15-25(32)33)14-24(30-31)26(27,28)29/h3-13,20H,14-15H2,1-2H3,(H,32,33)

>  <InChI Key>
BGRMUGLQQHGWBQ-UHFFFAOYSA-N

