Molecule card · MolClass #37866
14719378
14719378: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14719378Mitochondrial Fusion · compound_name
- MolClass ID
- 37866
- InChIKey
- QGOWCYYXUZAVJE-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)c3nc(c2ccco2)n4ccccc34
- Standard InChI
- InChI=1S/C17H12N2O/c1-2-7-13(8-3-1)16-14-9-4-5-11-19(14)17(18-16)15-10-6-12-20-15/h1-12H
- Stored Murcko scaffold
- n1c(-c2ccccc2)c3ccccn3c1-c4occc4
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.
No other molecules currently have this stored scaffold.
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
- 30.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.291 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.602
- 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.
Mitochondrial Fusion
Dataset #19 · 14719378