
 CHEMBL595235

 31 33  0  0  0  0  0  0  0  0999 V2000
   -0.0584    0.6561   -0.1680 C   0  0  0  0  0
   -0.9565   -0.4260    0.3591 C   0  0  0  0  0
    0.4115   -0.7796   -0.1767 C   0  0  0  0  0
    1.5262   -1.2196    0.7499 C   0  0  0  0  0
    1.5773   -2.7425    0.7817 C   0  0  0  0  0
    0.8353   -3.4556    1.7303 C   0  0  0  0  0
    0.9098   -4.8401    1.7203 C   0  0  0  0  0
    1.6521   -5.5597    0.8570 N   0  0  0  0  0
    2.3393   -4.8592   -0.0668 C   0  0  0  0  0
    2.3285   -3.4745   -0.1492 C   0  0  0  0  0
    0.0349   -5.7743    2.8616 Cl  0  0  0  0  0
    2.8888   -0.6071    0.3681 C   0  0  0  0  0
    3.0793   -0.0988   -0.7339 O   0  0  0  0  0
    3.8237   -0.7326    1.3784 N   0  0  0  0  0
    5.1092   -0.2894    1.2366 C   0  0  0  0  0
    5.6680    0.3273    0.2265 N   0  0  0  0  0
    6.9924    0.5821    0.5293 C   0  0  0  0  0
    7.3912    0.1453    1.7672 C   0  0  0  0  0
    6.1083   -0.6028    2.5899 S   0  0  0  0  0
    8.5987    0.2888    2.2445 F   0  0  0  0  0
   -0.2982    1.1058   -1.1263 H   0  0  0  0  0
    0.3889    1.3482    0.5363 H   0  0  0  0  0
   -1.8213   -0.6964   -0.2371 H   0  0  0  0  0
   -1.1340   -0.4503    1.4279 H   0  0  0  0  0
    0.4751   -1.2485   -1.1549 H   0  0  0  0  0
    1.3069   -0.8561    1.7645 H   0  0  0  0  0
    0.2074   -2.9493    2.4556 H   0  0  0  0  0
    2.9194   -5.4553   -0.7666 H   0  0  0  0  0
    2.9003   -2.9855   -0.9349 H   0  0  0  0  0
    3.5988   -1.2117    2.2376 H   0  0  0  0  0
    7.6185    1.0904   -0.1923 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 28  1  0  0  0
 10 29  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 31  1  0  0  0
 18 19  1  0  0  0
 18 20  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL595235

>  <PubChem CID>
46226385

>  <Formula>
C13H11ClFN3OS

>  <Molecular Weight>
311.759000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C13H11ClFN3OS/c14-9-5-8(3-4-16-9)11(7-1-2-7)12(19)18-13-17-6-10(15)20-13/h3-7,11H,1-2H2,(H,17,18,19)/t11-/m0/s1

>  <InChI Key>
ACAQUQFNLKTVTP-NSHDSACASA-N

