PDB CCD ID: | AW8 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C20 H15 Cl F N3 O3 |
InChI: | InChI=1S/C20H15ClFN3O3/c1-10-23-19-17(20(28)25(10)9-16(26)27)14-8-13(22)6-7-15(14)24-18(19)11-2-4-12(21)5-3-11/h2-8,20,28H,9H2,1H3,(H,26,27)/t20-/m1/s1 |
InChIKey: | WLZWRUMUOJLESO-HXUWFJFHSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.6 | CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)Cl)F)[C@H](N1CC(=O)O)O | CACTVS 3.385 | CC1=Nc2c(nc3ccc(F)cc3c2[CH](O)N1CC(O)=O)c4ccc(Cl)cc4 | CACTVS 3.385 | CC1=Nc2c(nc3ccc(F)cc3c2[C@@H](O)N1CC(O)=O)c4ccc(Cl)cc4 | OpenEye OEToolkits 2.0.6 | CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)Cl)F)C(N1CC(=O)O)O |
|
Name: | 2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid |