Molecule card · MolClass #5461
524-15-2
524-15-2: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
4 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14738969Mitochondrial Fusion · compound_name
- MolClass ID
- 5461
- InChIKey
- KFBCTNNQFGONHB-UHFFFAOYSA-N
- Canonical SMILES
- COc3cccc2c3(nc1occc1c2(OC))
- Standard InChI
- InChI=1S/C13H11NO3/c1-15-10-5-3-4-8-11(10)14-13-9(6-7-17-13)12(8)16-2/h3-7H,1-2H3
- Stored Murcko scaffold
- n1c2occc2cc3ccccc13
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- Evoxine#1379
- Skimmianine#1395
- DICTAMNINE#2151
- EVOXINE#2295
- 522-19-0#3303
- 20643-71-4#4868
- 523-66-0#5002
- 2221-41-2#5058
- 2255-50-7#6073
- 484-08-2#6093
- 530-52-9#6916
- 24824123#26901
- 85149158#30509
- 14718682#38663
- 24823937#40233
- COCCNC(=O)c1oc2nc3ccc(OC)cc3cc2c1#151624
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 229.232 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.726
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Toxicity Benchmark
Dataset #5 · 524-15-2
Ames Categorization
Dataset #6 · 524-15-2
Xenopus Actin Polymerization
Dataset #12 · 1663425
Mitochondrial Fusion
Dataset #19 · 14738969