
 CHEMBL366164

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.1358    4.3602    0.3371 C   0  0  0  0  0
    2.1201    3.3420    0.7188 N   0  0  0  0  0
    1.4258    2.1333    1.1699 C   0  0  0  0  0
    3.0257    3.0754   -0.4191 C   0  0  0  0  0
    4.1493    2.0600   -0.1454 C   0  0  0  0  0
    5.0573    2.3987    1.0226 C   0  0  0  0  0
    6.4881    2.3587    0.4697 C   0  0  0  0  0
    6.3173    1.5758   -0.8527 C   0  0  0  0  0
    4.9879    1.9277   -1.3046 O   0  0  0  0  0
    6.4946    0.0660   -0.8255 C   0  0  0  0  0
    7.7553   -0.4876   -0.5418 C   0  0  0  0  0
    7.9435   -1.8791   -0.5387 C   0  0  0  0  0
    6.8838   -2.7349   -0.8320 C   0  0  0  0  0
    5.6489   -2.1950   -1.1501 C   0  0  0  0  0
    5.4512   -0.8172   -1.1614 C   0  0  0  0  0
    4.6324   -3.0083   -1.4632 F   0  0  0  0  0
    9.1702    0.5551   -0.2567 S   0  0  0  0  0
    8.7039    1.2726    1.3068 C   0  0  0  0  0
    9.6193    1.0619    2.3571 C   0  0  0  0  0
    9.4093    1.6056    3.6213 C   0  0  0  0  0
    8.2884    2.3876    3.8454 C   0  0  0  0  0
    7.3772    2.6045    2.8103 C   0  0  0  0  0
    7.5391    2.0316    1.5248 C   0  0  0  0  0
    1.6351    5.2866    0.0354 H   0  0  0  0  0
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    0.8710    1.6478    0.3601 H   0  0  0  0  0
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    2.4546    2.7341   -1.2947 H   0  0  0  0  0
    3.6940    1.0798    0.0296 H   0  0  0  0  0
    4.9009    1.6653    1.8229 H   0  0  0  0  0
    4.8334    3.3834    1.4472 H   0  0  0  0  0
    6.7159    3.3924    0.1613 H   0  0  0  0  0
    6.9977    1.9717   -1.6172 H   0  0  0  0  0
    8.9204   -2.3033   -0.3178 H   0  0  0  0  0
    7.0199   -3.8108   -0.8344 H   0  0  0  0  0
    4.4725   -0.4525   -1.4582 H   0  0  0  0  0
   10.5168    0.4680    2.1921 H   0  0  0  0  0
   10.1262    1.4308    4.4181 H   0  0  0  0  0
    8.1215    2.8371    4.8207 H   0  0  0  0  0
    6.5248    3.2470    3.0264 H   0  0  0  0  0
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  1 24  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL366164

>  <PubChem CID>
11186523

>  <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]1C[C@H]2[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-MUKKUYKPSA-N

