Molecule card · MolClass #36316
4260360
4260360: 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
- 4260360Mitochondrial Fusion · compound_name
- MolClass ID
- 36316
- InChIKey
- CDCJDEZNJCRHKK-UHFFFAOYSA-N
- Canonical SMILES
- O=C6Nc1ccccc1C56(Nc2ccccc2c4nc3ccccc3n45)
- Standard InChI
- InChI=1S/C21H14N4O/c26-20-21(14-8-2-4-10-16(14)23-20)24-15-9-3-1-7-13(15)19-22-17-11-5-6-12-18(17)25(19)21/h1-12,24H,(H,23,26)
- Stored Murcko scaffold
- n1c2ccccc2n3c1-c4ccccc4NC53[CH]Nc6ccccc65
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.
- 864132#36858
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 338.363 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.484
- 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 · 4260360