PDB CCD ID: | HBQ |
Number of entries in BioLiP: | 4 |
Chemical formula: | C14 H17 F N2 O3 |
InChI: | InChI=1S/C14H17FN2O3/c1-4-11-13(18)16-10-6-5-9(15)7-12(10)17(11)14(19)20-8(2)3/h5-8,11H,4H2,1-3H3,(H,16,18)/t11-/m0/s1 |
InChIKey: | KELNNWMENBUHNS-NSHDSACASA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | CC[C@H]1C(=O)Nc2ccc(cc2N1C(=O)OC(C)C)F | CACTVS 3.341 | CC[C@@H]1N(C(=O)OC(C)C)c2cc(F)ccc2NC1=O | ACDLabs 10.04 | Fc1ccc2c(c1)N(C(=O)OC(C)C)C(C(=O)N2)CC | OpenEye OEToolkits 1.5.0 | CCC1C(=O)Nc2ccc(cc2N1C(=O)OC(C)C)F | CACTVS 3.341 | CC[CH]1N(C(=O)OC(C)C)c2cc(F)ccc2NC1=O |
|
Name: | ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE |
ChEMBL: | CHEMBL301370 |
DrugBank: | DB07884 |
ZINC: | ZINC000003916138 |