| PDB CCD ID: | X62 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H9 Cl2 N5 O3 |
| InChI: | InChI=1S/C12H9Cl2N5O3/c13-8-2-9(7(11(15)20)1-10(8)19(21)22)16-3-6-4-17-12(14)18-5-6/h1-2,4-5,16H,3H2,(H2,15,20) |
| InChIKey: | FZWJCGAXJODLPL-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | Clc1ncc(cn1)CNc2cc(Cl)c([N+]([O-])=O)cc2C(=O)N | | CACTVS 3.370 | NC(=O)c1cc(c(Cl)cc1NCc2cnc(Cl)nc2)[N+]([O-])=O | | OpenEye OEToolkits 1.7.0 | c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)Cl)C(=O)N |
|
| Name: | 4-chloro-2-{[(2-chloropyrimidin-5-yl)methyl]amino}-5-nitrobenzamide |
| ZINC: | ZINC000095920635 |
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