
 CHEMBL594998

 32 34  0  0  0  0  0  0  0  0999 V2000
    0.6645   -0.0416   -1.6351 C   0  0  0  0  0
   -0.4978   -0.9297   -1.2966 C   0  0  0  0  0
    0.9118   -1.4672   -1.1983 C   0  0  0  0  0
    1.5418   -1.7499    0.1590 C   0  0  0  0  0
    1.4028   -3.2383    0.4672 C   0  0  0  0  0
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    1.1146   -5.9613    1.0858 C   0  0  0  0  0
    0.1996   -5.0382    1.5843 C   0  0  0  0  0
    0.3400   -3.6842    1.2711 C   0  0  0  0  0
    0.9526   -7.6270    1.4846 Cl  0  0  0  0  0
    3.0047   -1.2682    0.2139 C   0  0  0  0  0
    3.7035   -1.2041   -0.8063 O   0  0  0  0  0
    3.5852   -0.8688    1.3812 N   0  0  0  0  0
    3.0731   -0.9707    2.6364 C   0  0  0  0  0
    1.9326   -1.4804    3.0339 N   0  0  0  0  0
    1.8636   -1.4122    4.4123 C   0  0  0  0  0
    2.9412   -0.8112    5.0135 C   0  0  0  0  0
    4.0954   -0.3466    3.8598 S   0  0  0  0  0
    3.0593   -0.6292    6.3005 F   0  0  0  0  0
    0.8400    0.1985   -2.6789 H   0  0  0  0  0
    0.9112    0.7641   -0.9530 H   0  0  0  0  0
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    1.2571   -2.1479   -1.9703 H   0  0  0  0  0
    0.9763   -1.1652    0.8922 H   0  0  0  0  0
    3.1190   -3.8848   -0.6978 H   0  0  0  0  0
    2.8706   -6.2639   -0.1302 H   0  0  0  0  0
   -0.6199   -5.3623    2.2192 H   0  0  0  0  0
   -0.3758   -2.9709    1.6745 H   0  0  0  0  0
    4.5281   -0.5171    1.2922 H   0  0  0  0  0
    1.0011   -1.8136    4.9292 H   0  0  0  0  0
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  1 22  1  0  0  0
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  4 12  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
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  7  8  2  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL594998

>  <PubChem CID>
46226336

>  <Formula>
C14H12ClFN2OS

>  <Molecular Weight>
310.771000

>  <IUPAC Name>
(2S)-2-(4-chlorophenyl)-2-cyclopropyl-N-(5-fluoro-1,3-thiazol-2-yl)acetamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC1C(C2=CC=C(C=C2)Cl)C(=O)NC3=NC=C(S3)F

>  <Isomeric SMILES>
C1CC1[C@@H](C2=CC=C(C=C2)Cl)C(=O)NC3=NC=C(S3)F

>  <InChI Std. ID>
InChI=1S/C14H12ClFN2OS/c15-10-5-3-9(4-6-10)12(8-1-2-8)13(19)18-14-17-7-11(16)20-14/h3-8,12H,1-2H2,(H,17,18,19)/t12-/m0/s1

>  <InChI Key>
HVWACKKELLLKEV-LBPRGKRZSA-N

