Molecule card · MolClass #48223
14741516
14741516: 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
- 14741516Mitochondrial Fusion · compound_name
- MolClass ID
- 48223
- InChIKey
- BSZAYSRNOCQEDG-UHFFFAOYSA-N
- Canonical SMILES
- CN3c4ccccc4(C(=O)C(c1ccc(cc1)Cl)=C3(NC(=O)c2ccco2))
- Standard InChI
- InChI=1S/C21H15ClN2O3/c1-24-16-6-3-2-5-15(16)19(25)18(13-8-10-14(22)11-9-13)20(24)23-21(26)17-7-4-12-27-17/h2-12H,1H3,(H,23,26)
- Stored Murcko scaffold
- o1cccc1[CH]NC=2Nc3ccccc3[CH]C2c4ccccc4
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.
- 865894#43978
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 378.809 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.736
- 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 · 14741516