| Drug Name |
US9422240, 1-282
|
| Synonyms |
SCHEMBL16762172; CHEMBL3896281; BDBM242546; US9422240, 1-282 |
| Drug Type |
Small molecular drug
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| Structure |
|
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3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
414.4 |
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| Logarithm of the Partition Coefficient (xlogp) |
3 |
| Rotatable Bond Count (rotbonds) |
7 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
7 |
| Chemical Identifiers |
- Formula
- C21H19FN2O6
- IUPAC Name
2-[[1-[[4-(2-fluorophenoxy)phenyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
- Canonical SMILES
-
C1CN(C(=O)C(=C1O)C(=O)NCC(=O)O)CC2=CC=C(C=C2)OC3=CC=CC=C3F
- InChI
-
InChI=1S/C21H19FN2O6/c22-15-3-1-2-4-17(15)30-14-7-5-13(6-8-14)12-24-10-9-16(25)19(21(24)29)20(28)23-11-18(26)27/h1-8,25H,9-12H2,(H,23,28)(H,26,27)
- InChIKey
-
FFAFLVNMXIWUFY-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 73053164
- TTD ID
- D05EHX
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