Molecule card · MolClass #44402
24811369
24811369: 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
- 24811369Mitochondrial Fusion · compound_name
- MolClass ID
- 44402
- InChIKey
- QRXUDQZDUGFKRO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc3c(c1)Cc2nc4ccccc4(nc23)
- Standard InChI
- InChI=1S/C16H12N2/c1-10-6-7-12-11(8-10)9-15-16(12)18-14-5-3-2-4-13(14)17-15/h2-8H,9H2,1H3
- Stored Murcko scaffold
- n1c2ccccc2nc3c1-c4ccccc4C3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 25.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 232.28 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.25
- 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 · 24811369