
 CHEMBL53412

 60 62  0  0  0  0  0  0  0  0999 V2000
   -3.6277   -3.0591    6.2781 C   0  0  0  0  0
   -3.6336   -4.2283    5.5232 C   0  0  0  0  0
   -3.6509   -4.1592    4.1293 C   0  0  0  0  0
   -3.6615   -2.9183    3.4731 C   0  0  0  0  0
   -3.6779   -2.8362    2.0728 C   0  0  0  0  0
   -3.6829   -1.5871    1.4462 C   0  0  0  0  0
   -3.6667   -0.4096    2.1948 C   0  0  0  0  0
   -3.6553   -0.4835    3.5880 C   0  0  0  0  0
   -3.6527   -1.7281    4.2408 C   0  0  0  0  0
   -3.6372   -1.8168    5.6416 C   0  0  0  0  0
   -3.7005   -1.4867   -0.3227 S   0  0  0  0  0
   -2.6124   -0.6224   -0.7184 O   0  0  0  0  0
   -3.8641   -2.8139   -0.8727 O   0  0  0  0  0
   -5.1161   -0.6295   -0.6200 N   0  0  0  0  0
   -6.3843   -1.3615   -0.6262 C   0  0  0  0  0
   -7.5312   -0.3556   -0.5530 C   0  0  0  0  0
   -8.8891   -1.0576   -0.5424 C   0  0  0  0  0
  -10.0392   -0.0487   -0.5229 C   0  0  0  0  0
  -11.3946   -0.7565   -0.5053 C   0  0  0  0  0
  -12.5520    0.2436   -0.5261 C   0  0  0  0  0
  -13.9010   -0.4775   -0.5132 C   0  0  0  0  0
  -15.0687    0.5084   -0.5771 C   0  0  0  0  0
  -16.4096   -0.2281   -0.5821 C   0  0  0  0  0
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  -18.8854    0.0250   -0.6836 C   0  0  0  0  0
  -19.7340   -0.3787    0.3249 C   0  0  0  0  0
  -20.8285   -1.0267   -0.1856 N   0  0  0  0  0
  -20.6588   -1.0218   -1.4870 C   0  0  0  0  0
  -19.4978   -0.3949   -1.8385 N   0  0  0  0  0
   -3.6132   -3.1128    7.3637 H   0  0  0  0  0
   -3.6228   -5.1960    6.0185 H   0  0  0  0  0
   -3.6529   -5.0853    3.5580 H   0  0  0  0  0
   -3.6814   -3.7445    1.4732 H   0  0  0  0  0
   -3.6608    0.5594    1.7018 H   0  0  0  0  0
   -3.6430    0.4393    4.1646 H   0  0  0  0  0
   -3.6295   -0.9153    6.2506 H   0  0  0  0  0
   -4.9762    0.1067   -1.3111 H   0  0  0  0  0
   -6.4354   -2.0438    0.2287 H   0  0  0  0  0
   -6.4600   -1.9441   -1.5506 H   0  0  0  0  0
   -7.4747    0.3291   -1.4087 H   0  0  0  0  0
   -7.4261    0.2599    0.3494 H   0  0  0  0  0
   -8.9570   -1.7112    0.3359 H   0  0  0  0  0
   -8.9789   -1.6973   -1.4290 H   0  0  0  0  0
   -9.9735    0.5984   -1.4060 H   0  0  0  0  0
   -9.9496    0.5969    0.3591 H   0  0  0  0  0
  -11.4681   -1.3854    0.3903 H   0  0  0  0  0
  -11.4715   -1.4218   -1.3740 H   0  0  0  0  0
  -12.4787    0.8712   -1.4226 H   0  0  0  0  0
  -12.4816    0.9095    0.3424 H   0  0  0  0  0
  -13.9827   -1.0849    0.3965 H   0  0  0  0  0
  -13.9566   -1.1649   -1.3661 H   0  0  0  0  0
  -14.9829    1.1214   -1.4826 H   0  0  0  0  0
  -15.0244    1.1895    0.2813 H   0  0  0  0  0
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  -16.4433   -0.9210   -1.4327 H   0  0  0  0  0
  -17.4941    1.3696   -1.5612 H   0  0  0  0  0
  -17.5626    1.4280    0.1969 H   0  0  0  0  0
  -19.6131   -0.2394    1.3917 H   0  0  0  0  0
  -21.3328   -1.4508   -2.2163 H   0  0  0  0  0
  -19.1557   -0.2699   -2.7811 H   0  0  0  0  0
  1  2  2  0  0  0
  1 10  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3 32  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
 10 36  1  0  0  0
 11 14  1  0  0  0
 11 13  2  0  0  0
 11 12  2  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
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 17 18  1  0  0  0
 17 42  1  0  0  0
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 18 19  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 20 49  1  0  0  0
 21 22  1  0  0  0
 21 50  1  0  0  0
 21 51  1  0  0  0
 22 23  1  0  0  0
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 22 53  1  0  0  0
 23 24  1  0  0  0
 23 54  1  0  0  0
 23 55  1  0  0  0
 24 25  1  0  0  0
 24 56  1  0  0  0
 24 57  1  0  0  0
 25 26  2  0  0  0
 25 29  1  0  0  0
 26 27  1  0  0  0
 26 58  1  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 28 59  1  0  0  0
 29 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL53412

>  <PubChem CID>
44297197

>  <Formula>
C23H31N3O2S

>  <Molecular Weight>
413.580000

>  <IUPAC Name>
N-[10-(1H-imidazol-5-yl)decyl]naphthalene-2-sulfonamide

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCCCCCCCC3=CN=CN3

>  <Isomeric SMILES>
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCCCCCCCC3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C23H31N3O2S/c27-29(28,23-15-14-20-11-8-9-12-21(20)17-23)26-16-10-6-4-2-1-3-5-7-13-22-18-24-19-25-22/h8-9,11-12,14-15,17-19,26H,1-7,10,13,16H2,(H,24,25)

>  <InChI Key>
ANHJFDNMPMIHKX-UHFFFAOYSA-N

