Molecule card · MolClass #47833
22402249
22402249: 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
- 22402249Mitochondrial Fusion · compound_name
- MolClass ID
- 47833
- InChIKey
- QRCZEZKMBUTHRX-UHFFFAOYSA-N
- Canonical SMILES
- CCC2=Nc1cc(ccc1Sc3ccccc23)C(=O)O
- Standard InChI
- InChI=1S/C16H13NO2S/c1-2-12-11-5-3-4-6-14(11)20-15-8-7-10(16(18)19)9-13(15)17-12/h3-9H,2H2,1H3,(H,18,19)
- Stored Murcko scaffold
- N1=Cc2ccccc2Sc3ccccc13
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.347 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.598
- 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 · 22402249