| PDB CCD ID: | 5YJ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H16 Cl2 N4 O3 |
| InChI: | InChI=1S/C16H16Cl2N4O3/c1-9-11(17)6-10(7-12(9)18)21-2-4-22(5-3-21)15(24)13-8-14(23)20-16(25)19-13/h6-8H,2-5H2,1H3,(H2,19,20,23,25) |
| InChIKey: | HKYIVHLRSLTYKM-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1cc(Cl)c(C)c(Cl)c1 | | CACTVS 3.385 | Cc1c(Cl)cc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3 | | OpenEye OEToolkits 2.0.7 | Cc1c(cc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl |
|
| Name: | 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione |
| ChEMBL: | CHEMBL5086216 |
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