| PDB CCD ID: | LLS |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H12 Cl2 N4 O3 |
| InChI: | InChI=1S/C19H12Cl2N4O3/c1-8-13(16-9-4-2-3-5-10(9)18(27)28-16)17(26)25(24-8)19-22-12-7-6-11(20)14(21)15(12)23-19/h2-7,16,26H,1H3,(H,22,23)/t16-/m0/s1 |
| InChIKey: | VIQXILLOJLATEF-INIZCTEOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | Cc1c(c(n(n1)c2[nH]c3ccc(c(c3n2)Cl)Cl)O)[C@@H]4c5ccccc5C(=O)O4 | | CACTVS 3.385 | Cc1nn(c(O)c1[CH]2OC(=O)c3ccccc23)c4[nH]c5ccc(Cl)c(Cl)c5n4 | | OpenEye OEToolkits 2.0.7 | Cc1c(c(n(n1)c2[nH]c3ccc(c(c3n2)Cl)Cl)O)C4c5ccccc5C(=O)O4 | | CACTVS 3.385 | Cc1nn(c(O)c1[C@H]2OC(=O)c3ccccc23)c4[nH]c5ccc(Cl)c(Cl)c5n4 |
|
| Name: | (3~{S})-3-[1-[4,5-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{H}-2-benzofuran-1-one |
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