| PDB CCD ID: | LQL |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C22 H20 Cl2 N4 O2 S |
| InChI: | InChI=1S/C22H20Cl2N4O2S/c23-18-6-5-16(11-19(18)24)28-9-8-27(22(30)15-3-1-7-25-12-15)14-20(28)21(29)26-13-17-4-2-10-31-17/h1-7,10-12,20H,8-9,13-14H2,(H,26,29)/t20-/m0/s1 |
| InChIKey: | XEFYJHCPILXFKJ-FQEVSTJZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Clc1ccc(cc1Cl)N2CCN(C[C@H]2C(=O)NCc3sccc3)C(=O)c4cccnc4 | | OpenEye OEToolkits 2.0.7 | c1cc(cnc1)C(=O)N2CCN(C(C2)C(=O)NCc3cccs3)c4ccc(c(c4)Cl)Cl | | CACTVS 3.385 | Clc1ccc(cc1Cl)N2CCN(C[CH]2C(=O)NCc3sccc3)C(=O)c4cccnc4 | | OpenEye OEToolkits 2.0.7 | c1cc(cnc1)C(=O)N2CCN([C@@H](C2)C(=O)NCc3cccs3)c4ccc(c(c4)Cl)Cl |
|
| Name: | (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide |
| ChEMBL: | CHEMBL5174111 |
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