Obsolete: PRD_002396
PRD_002396 was replaced with 86Q on %CSummary
| Name: | 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE |
| Formula: | C12 H11 N3 |
| Formal charge: | 0 |
| Fomular weight: | 197.236 |
| Component type: | NON-POLYMER |
| Polymer sequences: | |
| Non-polymer components: | |
| BIRD class: | Antibiotic |
| Represented as: | single molecule |
| Program | Version | Name |
| ACDLabs | 10.04 | 5,6-dihydrobenzo[h]cinnolin-3-amine |
| OpenEye OEToolkits | 1.5.0 | 5,6-dihydrobenzo[h]cinnolin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1nc(N)cc3c1c2ccccc2CC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1cc2CCc3ccccc3c2nn1 |
| SMILES | CACTVS | 3.341 | Nc1cc2CCc3ccccc3c2nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc-2c(c1)CCc3c2nnc(c3)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc-2c(c1)CCc3c2nnc(c3)N |
| InChI | InChI | 1.03 | InChI=1S/C12H11N3/c13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)15-14-11/h1-4,7H,5-6H2,(H2,13,14) |
| InChIKey | InChI | 1.03 | QKVREUJWFZJEJK-UHFFFAOYSA-N |
