| PDB CCD ID: | 7C1 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H13 N3 O2 |
| InChI: | InChI=1S/C16H13N3O2/c1-9-3-2-4-12-13(9)16(21)19(15(12)20)11-7-5-10(6-8-11)14(17)18/h2-8H,1H3,(H3,17,18) |
| InChIKey: | KDWKLFURLBISCV-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.352 | Cc1cccc2C(=O)N(C(=O)c12)c3ccc(cc3)C(N)=N | | ACDLabs 11.02 | O=C2c1cccc(c1C(=O)N2c3ccc(C(=[N@H])N)cc3)C | | OpenEye OEToolkits 1.7.0 | [H]/N=C(\c1ccc(cc1)N2C(=O)c3cccc(c3C2=O)C)/N | | OpenEye OEToolkits 1.7.0 | Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C(=N)N |
|
| Name: | 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide;
4-(4-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzene-1-carboximidamide |
| ChEMBL: | CHEMBL1230558 |
| ZINC: | ZINC000058626850 |
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