
 CHEMBL320951

 49 52  0  0  0  0  0  0  0  0999 V2000
    4.3525   -2.0897   -1.6910 C   0  0  0  0  0
    3.3460   -1.8280   -0.5793 C   0  0  0  0  0
    3.7034   -0.6270    0.3019 C   0  0  0  0  0
    3.6920    0.6939   -0.4650 C   0  0  0  0  0
    3.9162    1.8861    0.4136 C   0  0  0  0  0
    2.9618    2.5072    1.0755 N   0  0  0  0  0
    3.5361    3.6237    1.6171 C   0  0  0  0  0
    4.8743    3.7041    1.2852 C   0  0  0  0  0
    5.1259    2.5356    0.5851 N   0  0  0  0  0
    6.4167    2.0914    0.0493 C   0  0  0  0  0
    6.9931    0.8720    0.7552 C   0  0  0  0  0
    6.7527    0.6775    2.1311 C   0  0  0  0  0
    7.2025   -0.4633    2.7871 C   0  0  0  0  0
    7.9271   -1.4233    2.0897 C   0  0  0  0  0
    8.2444   -1.2407    0.7377 C   0  0  0  0  0
    7.8017   -0.0764    0.0562 C   0  0  0  0  0
    8.1990    0.0702   -1.2919 C   0  0  0  0  0
    8.9690   -0.9030   -1.9451 C   0  0  0  0  0
    9.3689   -2.0603   -1.2775 C   0  0  0  0  0
    9.0053   -2.2143    0.0660 C   0  0  0  0  0
   10.1481   -3.0863   -1.9584 C   0  0  0  0  0
   10.5344   -3.0261   -3.2465 N   0  0  0  0  0
   11.1844   -4.1937   -3.3530 N   0  0  0  0  0
   11.2285   -4.9470   -2.2496 N   0  0  0  0  0
   10.5635   -4.2459   -1.3428 N   0  0  0  0  0
    5.8375    4.7996    1.5389 C   0  0  0  0  0
    7.0368    4.2311    2.0313 O   0  0  0  0  0
    2.6248    4.7589    2.5008 Cl  0  0  0  0  0
    4.0726   -2.9913   -2.2454 H   0  0  0  0  0
    5.3575   -2.2395   -1.2849 H   0  0  0  0  0
    4.3881   -1.2639   -2.4074 H   0  0  0  0  0
    3.2882   -2.7209    0.0546 H   0  0  0  0  0
    2.3510   -1.6844   -1.0161 H   0  0  0  0  0
    4.6820   -0.8002    0.7574 H   0  0  0  0  0
    2.9842   -0.5770    1.1297 H   0  0  0  0  0
    2.7117    0.8161   -0.9457 H   0  0  0  0  0
    4.4227    0.6784   -1.2780 H   0  0  0  0  0
    7.1339    2.9138    0.0767 H   0  0  0  0  0
    6.2188    1.8867   -1.0066 H   0  0  0  0  0
    6.1856    1.4074    2.7072 H   0  0  0  0  0
    6.9791   -0.6080    3.8420 H   0  0  0  0  0
    8.2575   -2.3143    2.6208 H   0  0  0  0  0
    7.9351    0.9505   -1.8674 H   0  0  0  0  0
    9.2502   -0.7416   -2.9842 H   0  0  0  0  0
    9.3210   -3.1074    0.6040 H   0  0  0  0  0
   11.6198   -4.4947   -4.2207 H   0  0  0  0  0
    5.4637    5.5051    2.2872 H   0  0  0  0  0
    6.0470    5.3463    0.6151 H   0  0  0  0  0
    7.6437    4.9727    2.2011 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
 10 11  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 14  2  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 25  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 46  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 26 47  1  0  0  0
 26 48  1  0  0  0
 27 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL320951

>  <PubChem CID>
15699053

>  <Formula>
C20H21ClN6O

>  <Molecular Weight>
396.879000

>  <IUPAC Name>
[2-butyl-5-chloro-3-[[6-(2H-tetrazol-5-yl)naphthalen-1-yl]methyl]imidazol-4-yl]methanol

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCC1=NC(=C(N1CC2=CC=CC3=C2C=CC(=C3)C4=NNN=N4)CO)Cl

>  <Isomeric SMILES>
CCCCC1=NC(=C(N1CC2=CC=CC3=C2C=CC(=C3)C4=NNN=N4)CO)Cl

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

>  <InChI Key>
FNMGOGGSFXNBTK-UHFFFAOYSA-N

