
 CHEMBL64636

 48 52  0  0  0  0  0  0  0  0999 V2000
   -0.0940    0.9250    0.1717 C   0  0  0  0  0
   -0.3471    0.1148    1.4489 C   0  0  0  0  0
    0.5405   -1.0844    1.4405 N   0  0  0  0  0
    0.4290   -1.6591    0.0865 C   0  0  0  0  0
    0.5743   -0.2492   -1.0397 S   0  0  0  0  0
    1.4275   -2.7461   -0.2217 C   0  0  0  0  0
    1.0564   -3.7796   -1.0844 C   0  0  0  0  0
    1.8558   -4.8117   -1.4442 N   0  0  0  0  0
    3.1017   -4.8170   -0.9315 C   0  0  0  0  0
    3.5846   -3.8367   -0.0821 C   0  0  0  0  0
    2.7379   -2.7868    0.2711 C   0  0  0  0  0
   -1.8303   -0.2926    1.5891 C   0  0  0  0  0
   -2.5278   -0.4584    0.5858 O   0  0  0  0  0
   -2.3941   -0.4839    2.9317 C   0  0  0  0  0
   -1.7075   -0.5024    4.1322 C   0  0  0  0  0
   -2.6062   -0.7020    5.1490 N   0  0  0  0  0
   -3.8785   -0.8190    4.6412 C   0  0  0  0  0
   -3.7787   -0.6886    3.2554 C   0  0  0  0  0
   -4.9630   -0.7617    2.4927 C   0  0  0  0  0
   -6.1925   -0.9594    3.1297 C   0  0  0  0  0
   -6.2576   -1.1176    4.5147 C   0  0  0  0  0
   -5.0990   -1.0298    5.2973 C   0  0  0  0  0
   -7.4339   -1.3065    5.2138 O   0  0  0  0  0
   -8.4834   -1.9129    4.5626 C   0  0  0  0  0
   -8.3603   -3.1767    3.9754 C   0  0  0  0  0
   -9.4575   -3.7432    3.3248 C   0  0  0  0  0
  -10.6661   -3.0554    3.2947 C   0  0  0  0  0
  -10.8049   -1.8152    3.9102 C   0  0  0  0  0
   -9.7079   -1.2426    4.5557 C   0  0  0  0  0
  -11.7169   -3.5983    2.6655 F   0  0  0  0  0
   -0.9904    1.4096   -0.2247 H   0  0  0  0  0
    0.6693    1.6908    0.3452 H   0  0  0  0  0
   -0.0973    0.7509    2.3059 H   0  0  0  0  0
    1.4944   -0.7371    1.5170 H   0  0  0  0  0
   -0.5732   -2.0905   -0.0226 H   0  0  0  0  0
    0.0648   -3.8100   -1.5316 H   0  0  0  0  0
    3.7236   -5.6546   -1.2325 H   0  0  0  0  0
    4.5992   -3.8876    0.2964 H   0  0  0  0  0
    3.1176   -2.0128    0.9297 H   0  0  0  0  0
   -0.6531   -0.4065    4.3596 H   0  0  0  0  0
   -2.3748   -0.7628    6.1314 H   0  0  0  0  0
   -4.9285   -0.6591    1.4108 H   0  0  0  0  0
   -7.0887   -0.9854    2.5170 H   0  0  0  0  0
   -5.1531   -1.1263    6.3762 H   0  0  0  0  0
   -7.4154   -3.7118    4.0097 H   0  0  0  0  0
   -9.3766   -4.7124    2.8429 H   0  0  0  0  0
  -11.7611   -1.3039    3.8814 H   0  0  0  0  0
   -9.8026   -0.2741    5.0387 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 35  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
 10 11  2  0  0  0
 10 38  1  0  0  0
 11 39  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 18  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21 22  2  0  0  0
 21 23  1  0  0  0
 22 44  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 45  1  0  0  0
 26 27  2  0  0  0
 26 46  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 47  1  0  0  0
 29 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL64636

>  <PubChem CID>
10454763

>  <Formula>
C23H18FN3O2S

>  <Molecular Weight>
419.474000

>  <IUPAC Name>
[6-(4-fluorophenoxy)-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(NC(S1)C2=CN=CC=C2)C(=O)C3=CNC4=C3C=CC(=C4)OC5=CC=C(C=C5)F

>  <Isomeric SMILES>
C1[C@H](NC(S1)C2=CN=CC=C2)C(=O)C3=CNC4=C3C=CC(=C4)OC5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C23H18FN3O2S/c24-15-3-5-16(6-4-15)29-17-7-8-18-19(12-26-20(18)10-17)22(28)21-13-30-23(27-21)14-2-1-9-25-11-14/h1-12,21,23,26-27H,13H2/t21-,23?/m0/s1

>  <InChI Key>
BTORIACRBGWOOJ-BBQAJUCSSA-N

