| PDB CCD ID: | HK8 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H11 Cl N2 O3 |
| InChI: | InChI=1S/C15H11ClN2O3/c16-9-2-3-10-12(7-9)17-11-4-1-8(6-14(19)20)5-13(11)18-15(10)21/h1-5,7,17H,6H2,(H,18,21)(H,19,20) |
| InChIKey: | MFBFXFHWNXYFCJ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1cc2c(cc1CC(=O)O)NC(=O)c3ccc(cc3N2)Cl | | ACDLabs 12.01 | O=C(O)Cc3cc1c(Nc2c(C(=O)N1)ccc(Cl)c2)cc3 | | CACTVS 3.370 | OC(=O)Cc1ccc2Nc3cc(Cl)ccc3C(=O)Nc2c1 |
|
| Name: | (3-chloro-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid |
| ZINC: | ZINC000071788611 |
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