
 CHEMBL323179

 49 52  0  0  0  0  0  0  0  0999 V2000
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    8.2617    0.6395    1.2766 C   0  0  0  0  0
    6.7708    0.8438    1.5546 C   0  0  0  0  0
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    5.8794   -0.1771   -0.5706 C   0  0  0  0  0
    5.4360   -1.3451   -0.1470 N   0  0  0  0  0
    5.5336   -2.2027   -1.2061 C   0  0  0  0  0
    6.0102   -1.5516   -2.3239 C   0  0  0  0  0
    6.2580   -0.2574   -1.8966 N   0  0  0  0  0
    6.8237    0.8173   -2.7097 C   0  0  0  0  0
    8.3333    0.9219   -2.6182 C   0  0  0  0  0
    9.1538   -0.1997   -2.4066 C   0  0  0  0  0
   10.5698   -0.1535   -2.4123 C   0  0  0  0  0
   11.1639    1.1049   -2.6719 C   0  0  0  0  0
   12.5603    1.2165   -2.7465 C   0  0  0  0  0
   13.3790    0.1035   -2.5782 C   0  0  0  0  0
   12.8116   -1.1381   -2.3123 C   0  0  0  0  0
   11.4166   -1.2863   -2.2098 C   0  0  0  0  0
   10.9096   -2.6230   -1.8987 C   0  0  0  0  0
    9.8597   -2.8949   -1.1031 N   0  0  0  0  0
    9.8650   -4.2333   -1.1392 N   0  0  0  0  0
   10.8262   -4.7949   -1.8795 N   0  0  0  0  0
   11.5139   -3.7709   -2.3655 N   0  0  0  0  0
   10.3535    2.2368   -2.8726 C   0  0  0  0  0
    8.9596    2.1470   -2.8509 C   0  0  0  0  0
    6.2779   -2.0556   -3.6875 C   0  0  0  0  0
    5.1529   -1.7037   -4.4744 O   0  0  0  0  0
    5.1024   -3.8441   -1.0849 Cl  0  0  0  0  0
    8.9496    1.4207    3.1792 H   0  0  0  0  0
   10.1180    0.3804    2.3469 H   0  0  0  0  0
    8.7154   -0.3385    3.1576 H   0  0  0  0  0
    8.4159   -0.2678    0.6826 H   0  0  0  0  0
    8.6506    1.4827    0.6944 H   0  0  0  0  0
    6.6446    1.7281    2.1921 H   0  0  0  0  0
    6.3789   -0.0107    2.1205 H   0  0  0  0  0
    6.3569    1.9130   -0.2670 H   0  0  0  0  0
    4.9278    1.3235    0.5600 H   0  0  0  0  0
    6.3436    1.7511   -2.3985 H   0  0  0  0  0
    6.5318    0.6473   -3.7513 H   0  0  0  0  0
    8.6773   -1.1607   -2.2403 H   0  0  0  0  0
   13.0256    2.1786   -2.9522 H   0  0  0  0  0
   14.4591    0.2035   -2.6521 H   0  0  0  0  0
   13.4674   -1.9966   -2.1744 H   0  0  0  0  0
    9.1795   -4.7914   -0.6368 H   0  0  0  0  0
   10.8095    3.2056   -3.0689 H   0  0  0  0  0
    8.3726    3.0452   -3.0369 H   0  0  0  0  0
    6.4119   -3.1413   -3.7137 H   0  0  0  0  0
    7.1689   -1.6084   -4.1353 H   0  0  0  0  0
    4.4006   -2.2117   -4.1225 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  9  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
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 11 12  2  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
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 14 24  1  0  0  0
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 27 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL323179

>  <PubChem CID>
15699052

>  <Formula>
C20H21ClN6O

>  <Molecular Weight>
396.879000

>  <IUPAC Name>
[2-butyl-5-chloro-3-[[8-(2H-tetrazol-5-yl)naphthalen-2-yl]methyl]imidazol-4-yl]methanol

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCC1=NC(=C(N1CC2=CC3=C(C=CC=C3C4=NNN=N4)C=C2)CO)Cl

>  <Isomeric SMILES>
CCCCC1=NC(=C(N1CC2=CC3=C(C=CC=C3C4=NNN=N4)C=C2)CO)Cl

>  <InChI Std. ID>
InChI=1S/C20H21ClN6O/c1-2-3-7-18-22-19(21)17(12-28)27(18)11-13-8-9-14-5-4-6-15(16(14)10-13)20-23-25-26-24-20/h4-6,8-10,28H,2-3,7,11-12H2,1H3,(H,23,24,25,26)

>  <InChI Key>
BFZAZZKUIPENSW-UHFFFAOYSA-N

