|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
36
Total Number of Articles : 153
|
| PubChem |
16678941
|
| Molecular Formula |
C24H18F2N2O5 |
| SMILES |
CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=CC=C5)C(=O)O |
| InChI |
InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31) |
| synonyms |
- Lumacaftor
- 936727-05-8
- VX-809
- VX 809
- VX809
- VRT-826809
- VRT 826809
- Lumacaftor [INN]
- Lumacaftor [USAN:INN]
- UNII-EGP8L81APK
- EGP8L81APK
- LUMACAFTOR [MI]
- LUMACAFTOR [USAN]
- 3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid
- LUMACAFTOR [WHO-DD]
- LUMACAFTOR [ORANGE BOOK]
- CHEBI:90951
- DTXSID30239523
- ORKAMBI COMPONENT LUMACAFTOR
- Lumacaftor (USAN)
- 3-(6-(1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzoic acid
- 3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid
- Benzoic acid, 3-(6-(((1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl)carbonyl)amino)-3-methyl-2-pyridinyl)-
- 3-(6-(1-(2,2-DIFLUOROBENZO(D) (1,3)DIOXYL-5-YL)CYCLOPROPANECARBOXAMIDO)-3-METHYLPYRIDIN-2-YL)BENZOIC ACID
- 3-{6-[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropaneamido]-3-methylpyridin-2-yl}benzoic acid
- lumacaftorum
- 3-(6-((1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl)amino)-3-methylpyridin-2-yl)benzoic acid
- 3-(6-((1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl)amino)-3-methylpyridin-2-yl)benzoic acid
- 3-(6-(1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropaneamido)-3-methylpyridin-2-yl)benzoic acid
- DTXCID80162014
Click to show/hide the synonyms
|
| Properties |
| Property |
Value |
| MW |
452.4 g/mol |
| HBD |
2 |
| HBA |
8 |
| Rotatable Bond Count |
5 |
| Exact Mass |
452.11837800 g/mol |
| Monoisotopic Mass |
452.11837800 g/mol |
| Heavy Atom Count |
33 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
776 |
| xlogp |
4.4 |
| Topological Polar Surface Area |
97.8 |
|