
 CHEMBL595000

 38 40  0  0  0  0  0  0  0  0999 V2000
    0.7745   -1.1025   -4.3791 C   0  0  0  0  0
   -0.4008   -0.2763   -3.8933 C   0  0  0  0  0
   -1.3424   -1.0961   -3.0084 C   0  0  0  0  0
   -0.6616   -1.8250   -1.8005 C   0  0  0  0  0
    0.6167   -2.5485   -2.3244 C   0  0  0  0  0
    1.5278   -1.6902   -3.1990 C   0  0  0  0  0
   -1.6593   -2.8465   -1.1698 C   0  0  0  0  0
   -3.0408   -2.5675   -1.1060 C   0  0  0  0  0
   -3.9478   -3.4853   -0.5621 C   0  0  0  0  0
   -3.4905   -4.6873   -0.0418 C   0  0  0  0  0
   -2.1307   -4.9793   -0.0568 C   0  0  0  0  0
   -1.2282   -4.0710   -0.6199 C   0  0  0  0  0
   -4.6021   -5.8165    0.6268 Cl  0  0  0  0  0
   -0.2700   -0.7690   -0.7049 C   0  0  0  0  0
   -0.5124    0.4283   -0.8544 O   0  0  0  0  0
    0.3503   -1.3186    0.3981 N   0  0  0  0  0
    0.8356   -0.5648    1.4313 C   0  0  0  0  0
    0.9031    0.7346    1.5657 N   0  0  0  0  0
    1.4879    1.0336    2.7824 C   0  0  0  0  0
    1.8530   -0.0605    3.5295 C   0  0  0  0  0
    1.4678   -1.5009    2.7195 S   0  0  0  0  0
    2.4228    0.0047    4.7033 F   0  0  0  0  0
    0.4181   -1.9088   -5.0340 H   0  0  0  0  0
    1.4479   -0.4783   -4.9779 H   0  0  0  0  0
   -0.9583    0.1086   -4.7549 H   0  0  0  0  0
   -0.0311    0.5998   -3.3475 H   0  0  0  0  0
   -2.1304   -0.4151   -2.6634 H   0  0  0  0  0
   -1.8356   -1.8429   -3.6474 H   0  0  0  0  0
    1.2291   -2.9309   -1.4991 H   0  0  0  0  0
    0.3166   -3.4244   -2.9173 H   0  0  0  0  0
    1.9736   -0.8870   -2.6004 H   0  0  0  0  0
    2.3576   -2.3066   -3.5695 H   0  0  0  0  0
   -3.4469   -1.6292   -1.4841 H   0  0  0  0  0
   -5.0091   -3.2476   -0.5515 H   0  0  0  0  0
   -1.7676   -5.9174    0.3562 H   0  0  0  0  0
   -0.1805   -4.3615   -0.6211 H   0  0  0  0  0
    0.4010   -2.3165    0.5180 H   0  0  0  0  0
    1.6256    2.0658    3.0733 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 36  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
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 16 37  1  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 22  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL595000

>  <PubChem CID>
46226382

>  <Formula>
C16H16ClFN2OS

>  <Molecular Weight>
338.825000

>  <IUPAC Name>
1-(4-chlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)cyclohexane-1-carboxamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)(C2=CC=C(C=C2)Cl)C(=O)NC3=NC=C(S3)F

>  <Isomeric SMILES>
C1CCC(CC1)(C2=CC=C(C=C2)Cl)C(=O)NC3=NC=C(S3)F

>  <InChI Std. ID>
InChI=1S/C16H16ClFN2OS/c17-12-6-4-11(5-7-12)16(8-2-1-3-9-16)14(21)20-15-19-10-13(18)22-15/h4-7,10H,1-3,8-9H2,(H,19,20,21)

>  <InChI Key>
BVWFMDFUNCYSCG-UHFFFAOYSA-N

