Molecule card · MolClass #52112
4255376
4255376: 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
- 4255376Mitochondrial Fusion · compound_name
- MolClass ID
- 52112
- InChIKey
- JACLPSQJTNZNKO-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccccc3(NC(=O)c1cccc(c1)NC(=O)c2ccco2)
- Standard InChI
- InChI=1S/C19H16N2O4/c1-24-16-9-3-2-8-15(16)21-18(22)13-6-4-7-14(12-13)20-19(23)17-10-5-11-25-17/h2-12H,1H3,(H,20,23)(H,21,22)
- Stored Murcko scaffold
- o1cccc1[CH]Nc2cccc([CH]Nc3ccccc3)c2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.342 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.579
- 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 · 4255376