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Structure
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| Relationships |
Total Number of functionally related protein(s) :
30
Total Number of Articles : 55
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| PubChem |
504670
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| Molecular Formula |
C18H10F3NO3S2 |
| SMILES |
C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=S)C(F)(F)F |
| InChI |
InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25) |
| synonyms |
- CFTRinh-172
- CFTR(inh)-172
- 4-[[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
- 3-((3-trifluoromethyl)phenyl)-5-((3-carboxyphenyl)methylene)-2-thioxo-4-thiazolidinone
- 4-({4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl)benzoic acid
- CFTRinh 172
- (inh)-172
- 3-[(3-trifluoromethyl)phenyl]-5-[(3-carboxyphenyl)methylene]-2-thioxo-4-thiazolidinone
- CBMicro_044684
- SCHEMBL919042
- GTPL4153
- Cystic fibrosis transmembrane conductance regulator inhibitor CFTR(inh)-172
- CHEBI:131686
- JIMHYXZZCWVCMI-UHFFFAOYSA-N
- DTXSID501317499
- HMS3653A11
- BCP15834
- SB19564
- cystic fibrosis transmembrane regulator inhibitor 172
- Q27075883
- 4-[[4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-5-thiazolidinylidene]methyl]-benzoic acid
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| Properties |
| Property |
Value |
| MW |
409.4 g/mol |
| HBD |
1 |
| HBA |
8 |
| Rotatable Bond Count |
3 |
| Exact Mass |
409.00542001 g/mol |
| Monoisotopic Mass |
409.00542001 g/mol |
| Heavy Atom Count |
27 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
657 |
| xlogp |
4.9 |
| Topological Polar Surface Area |
115 |
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