
 CHEMBL193639

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.2119    4.3092    0.1465 C   0  0  0  0  0
    2.1502    3.2599    0.5557 N   0  0  0  0  0
    1.4059    2.0613    0.9475 C   0  0  0  0  0
    3.1087    2.9959   -0.5365 C   0  0  0  0  0
    4.1891    1.9419   -0.2306 C   0  0  0  0  0
    5.0243    2.2108    1.0106 C   0  0  0  0  0
    6.4735    2.3079    0.5236 C   0  0  0  0  0
    6.4174    1.5438   -0.8163 C   0  0  0  0  0
    5.1006    1.8410   -1.3394 O   0  0  0  0  0
    6.6566    0.0424   -0.7955 C   0  0  0  0  0
    7.9224   -0.4613   -0.4486 C   0  0  0  0  0
    8.1674   -1.8444   -0.4476 C   0  0  0  0  0
    7.1622   -2.7393   -0.8057 C   0  0  0  0  0
    5.9240   -2.2471   -1.1848 C   0  0  0  0  0
    5.6696   -0.8788   -1.1928 C   0  0  0  0  0
    4.9610   -3.0981   -1.5606 F   0  0  0  0  0
    9.2759    0.6353   -0.0829 S   0  0  0  0  0
    8.7025    1.3273    1.4561 C   0  0  0  0  0
    9.5768    1.1577    2.5481 C   0  0  0  0  0
    9.2853    1.6903    3.8007 C   0  0  0  0  0
    8.1215    2.4208    3.9727 C   0  0  0  0  0
    7.2493    2.5964    2.8969 C   0  0  0  0  0
    7.4957    2.0323    1.6207 C   0  0  0  0  0
    1.7477    5.2300   -0.1096 H   0  0  0  0  0
    0.5333    4.5610    0.9696 H   0  0  0  0  0
    0.6079    4.0085   -0.7178 H   0  0  0  0  0
    0.6771    2.3004    1.7310 H   0  0  0  0  0
    2.0703    1.3071    1.3812 H   0  0  0  0  0
    0.8691    1.6120    0.1043 H   0  0  0  0  0
    3.6235    3.9312   -0.7955 H   0  0  0  0  0
    2.5788    2.6914   -1.4498 H   0  0  0  0  0
    3.7021    0.9657   -0.1303 H   0  0  0  0  0
    4.8902    1.3845    1.7206 H   0  0  0  0  0
    4.7130    3.1251    1.5287 H   0  0  0  0  0
    6.6297    3.3635    0.2491 H   0  0  0  0  0
    7.1220    1.9811   -1.5346 H   0  0  0  0  0
    9.1486   -2.2297   -0.1787 H   0  0  0  0  0
    7.3429   -3.8091   -0.8113 H   0  0  0  0  0
    4.6931   -0.5513   -1.5362 H   0  0  0  0  0
   10.5074    0.6053    2.4258 H   0  0  0  0  0
    9.9721    1.5471    4.6300 H   0  0  0  0  0
    7.8900    2.8620    4.9387 H   0  0  0  0  0
    6.3594    3.1989    3.0731 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  7 35  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
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 11 12  1  0  0  0
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 14 16  1  0  0  0
 15 39  1  0  0  0
 17 18  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
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 20 21  2  0  0  0
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 22 23  2  0  0  0
 22 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL193639

>  <PubChem CID>
44401164

>  <Formula>
C19H20FNOS

>  <Molecular Weight>
329.433000

>  <IUPAC Name>


>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)CC1CC2C(O1)C3=C(C=CC(=C3)F)SC4=CC=CC=C24

>  <Isomeric SMILES>
CN(C)C[C@H]1CC2[C@H](O1)C3=C(C=CC(=C3)F)SC4=CC=CC=C24

>  <InChI Std. ID>
InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15?,19+/m1/s1

>  <InChI Key>
BSOLCASXROXPRZ-MQSINFNDSA-N

