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Structure
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| Relationships |
Total Number of functionally related protein(s) :
25
Total Number of Articles : 12
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| PubChem |
9940999
|
| Molecular Formula |
C17H14Cl2F2N2O4 |
| SMILES |
C1CC1COC2=C(C=CC(=C2)C(=O)N=C3C(=CN(C=C3Cl)O)Cl)OC(F)F |
| InChI |
InChI=1S/C17H14Cl2F2N2O4/c18-11-6-23(25)7-12(19)15(11)22-16(24)10-3-4-13(27-17(20)21)14(5-10)26-8-9-1-2-9/h3-7,9,17,25H,1-2,8H2 |
| synonyms |
- roflumilast N-oxide
- 292135-78-5
- Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-1-oxido-4-pyridinyl)-4-(difluoromethoxy)-
- 3,5-Dichloro-4-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamido)pyridine 1-oxide
- N-(3,5-Dichloro-1-oxopyridin-4-yl)-4-difluoromethoxy-3-cyclopropylmethoxybenzamide
- Daxas N-oxide
- 3-(cyclopropylmethoxy)-N-(3,5-dichloro-1-hydroxypyridin-4-ylidene)-4-(difluoromethoxy)benzamide
- roflumilastN-oxide
- 3-(Cyclopropylmethoxy)-N-(3,5-dichloro-1-oxido-4-pyridinyl)-4-(difluoromethoxy)-benzamide, 3-(Cyclopropylmethoxy)-N-(3,5-dichloro-1-oxido-4-pyridinyl)-4-(difluoromethoxy)benzamide; N-(3,5-Dichloro-1-oxopyridin-4-yl)-4-difluoromethoxy-3-cyclopropylmethoxybenzamide; Roflumilast N-oxide
- Roflumilast N-oxide?
- F08MQ6CZCS
- SCHEMBL185643
- C17H14Cl2F2N2O4
- CHEMBL4082392
- SCHEMBL20756169
- DTXSID80433059
- KHXXMSARUQULRI-UHFFFAOYSA-N
- ROFLUMILAST METABOLITE M07
- BCP28534
- BYK22890
- MFCD04112984
- AKOS037515830
- CCG-277877
- 3, 5-dichloro-4-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamido)pyridine 1-oxide
- 3,5-Dichloro-4-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamido)pyridine1-oxide
- AS-74398
- R0217
- A899569
- A1-04252
- Q27277472
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| Properties |
| Property |
Value |
| MW |
419.2 g/mol |
| HBD |
1 |
| HBA |
7 |
| Rotatable Bond Count |
6 |
| Exact Mass |
418.0298686 g/mol |
| Monoisotopic Mass |
418.0298686 g/mol |
| Heavy Atom Count |
27 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
645 |
| xlogp |
4.8 |
| Topological Polar Surface Area |
71.4 |
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