
 CHEMBL358335

 58 61  0  0  0  0  0  0  0  0999 V2000
    3.5656   -0.6878   -3.2962 C   0  0  0  0  0
    3.7802   -0.3249   -1.8356 C   0  0  0  0  0
    4.3237    1.0947   -1.6851 C   0  0  0  0  0
    4.4961    1.4698   -0.2144 C   0  0  0  0  0
    4.9557    2.9200   -0.1030 C   0  0  0  0  0
    3.9937    3.7924   -0.0669 N   0  0  0  0  0
    4.3335    5.1137    0.0704 C   0  0  0  0  0
    5.5800    5.5840   -0.1023 C   0  0  0  0  0
    6.6825    4.6273   -0.4544 C   0  0  0  0  0
    6.2999    3.2491   -0.1088 N   0  0  0  0  0
    7.3734    2.3798    0.3726 C   0  0  0  0  0
    7.5739    2.5518    1.8632 C   0  0  0  0  0
    6.6680    1.9959    2.7724 C   0  0  0  0  0
    6.7828    2.2524    4.1406 C   0  0  0  0  0
    7.8117    3.0613    4.6504 C   0  0  0  0  0
    8.7583    3.5568    3.7413 C   0  0  0  0  0
    8.6329    3.3205    2.3657 C   0  0  0  0  0
    7.8573    3.3763    6.0959 C   0  0  0  0  0
    7.8518    2.2960    7.0086 C   0  0  0  0  0
    7.8421    2.4940    8.3917 C   0  0  0  0  0
    7.8515    3.7832    8.9029 C   0  0  0  0  0
    7.8790    4.8692    8.0295 C   0  0  0  0  0
    7.8778    4.6901    6.6282 C   0  0  0  0  0
    7.8816    5.8970    5.8035 C   0  0  0  0  0
    8.5374    7.0263    6.1384 N   0  0  0  0  0
    8.2232    7.8030    5.0935 N   0  0  0  0  0
    7.4481    7.2483    4.1585 N   0  0  0  0  0
    7.2021    6.0277    4.6138 N   0  0  0  0  0
    6.9918    4.6689   -1.9578 C   0  0  0  0  0
    5.9318    7.0102    0.0397 C   0  0  0  0  0
    5.2049    7.9630    0.2456 O   0  0  0  0  0
    7.2511    7.2306   -0.1277 O   0  0  0  0  0
    2.9707    6.1155    0.4612 Cl  0  0  0  0  0
    3.1804   -1.7089   -3.3802 H   0  0  0  0  0
    4.5037   -0.6304   -3.8571 H   0  0  0  0  0
    2.8423   -0.0130   -3.7653 H   0  0  0  0  0
    4.4778   -1.0399   -1.3842 H   0  0  0  0  0
    2.8280   -0.4183   -1.3004 H   0  0  0  0  0
    3.6413    1.8039   -2.1705 H   0  0  0  0  0
    5.2863    1.1831   -2.2042 H   0  0  0  0  0
    5.1917    0.7865    0.2746 H   0  0  0  0  0
    3.5378    1.3711    0.3108 H   0  0  0  0  0
    7.5899    4.8881    0.1014 H   0  0  0  0  0
    8.3086    2.6145   -0.1526 H   0  0  0  0  0
    7.1898    1.3259    0.1411 H   0  0  0  0  0
    5.8359    1.3890    2.4273 H   0  0  0  0  0
    6.0293    1.8403    4.8094 H   0  0  0  0  0
    9.5829    4.1744    4.0919 H   0  0  0  0  0
    9.3562    3.7735    1.6912 H   0  0  0  0  0
    7.8500    1.2714    6.6375 H   0  0  0  0  0
    7.8233    1.6400    9.0640 H   0  0  0  0  0
    7.8362    3.9482    9.9772 H   0  0  0  0  0
    7.8846    5.8745    8.4494 H   0  0  0  0  0
    8.5564    8.7593    5.0119 H   0  0  0  0  0
    6.1165    4.3873   -2.5557 H   0  0  0  0  0
    7.7944    3.9664   -2.2090 H   0  0  0  0  0
    7.3103    5.6653   -2.2796 H   0  0  0  0  0
    7.3219    8.2007    0.0068 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4  5  1  0  0  0
  4 41  1  0  0  0
  4 42  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 44  1  0  0  0
 11 45  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
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 14 15  2  0  0  0
 14 47  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
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 18 19  2  0  0  0
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 20 21  2  0  0  0
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 23 24  1  0  0  0
 24 25  2  0  0  0
 24 28  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 54  1  0  0  0
 27 28  2  0  0  0
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 30 32  1  0  0  0
 30 31  2  0  0  0
 32 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL358335

>  <PubChem CID>
10322229

>  <Formula>
C24H25ClN6O2

>  <Molecular Weight>
464.954000

>  <IUPAC Name>
2-butyl-6-chloro-4-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4H-pyrimidine-5-carboxylic acid

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCC1=NC(=C(C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C)C(=O)O)Cl

>  <Isomeric SMILES>
CCCCC1=NC(=C(C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C)C(=O)O)Cl

>  <InChI Std. ID>
InChI=1S/C24H25ClN6O2/c1-3-4-9-20-26-22(25)21(24(32)33)15(2)31(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23-27-29-30-28-23/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,32,33)(H,27,28,29,30)

>  <InChI Key>
FFGOUCLZEVSODP-UHFFFAOYSA-N

