
 CHEMBL598198

 57 61  0  0  0  0  0  0  0  0999 V2000
   -2.6707    1.1535   -1.9799 C   0  0  0  0  0
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    2.5262    0.4235    1.3467 N   0  0  0  0  0
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    6.5788    3.4360    2.5885 C   0  0  0  0  0
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    8.0184    5.3705    1.9913 N   0  0  0  0  0
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    0.2314    1.1858    3.1219 H   0  0  0  0  0
    1.8659    0.1563    2.0613 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL598198

>  <PubChem CID>
24952928

>  <Formula>
C25H22F3N5OS

>  <Molecular Weight>
497.540000

>  <IUPAC Name>
2,5-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]cyclopropyl]-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide

>  <XlogP>
5.500

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=C(C(=C(S1)C)C(=O)NC2(CC2)C3=CC=C(C=C3)C4=NNN=N4)CC5=CC=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
CC1=C(C(=C(S1)C)C(=O)NC2(CC2)C3=CC=C(C=C3)C4=NNN=N4)CC5=CC=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C25H22F3N5OS/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)35-14)23(34)29-24(11-12-24)18-9-5-17(6-10-18)22-30-32-33-31-22/h3-10H,11-13H2,1-2H3,(H,29,34)(H,30,31,32,33)

>  <InChI Key>
FMLJGBDOSCBJBZ-UHFFFAOYSA-N

