Molecule card · MolClass #38518
847448
847448: 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
- 847448Mitochondrial Fusion · compound_name
- MolClass ID
- 38518
- InChIKey
- JAYPFWRSZPNPPF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)Cn2cnnn2
- Standard InChI
- InChI=1S/C9H10N4O2S/c1-8-2-4-9(5-3-8)16(14,15)7-13-6-10-11-12-13/h2-6H,7H2,1H3
- Stored Murcko scaffold
- n1ncn(n1)CSc2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 238.268 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.557
- 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 · 847448