Molecule card · MolClass #50511
17511169
17511169: 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
- 17511169Mitochondrial Fusion · compound_name
- MolClass ID
- 50511
- InChIKey
- KPVHQAJENXNUQC-UHFFFAOYSA-N
- Canonical SMILES
- O=C1c4ccccc4(C(=O)c2cc(ccc12)S(=O)(=O)Nc3ccccc3)
- Standard InChI
- InChI=1S/C20H13NO4S/c22-19-15-8-4-5-9-16(15)20(23)18-12-14(10-11-17(18)19)26(24,25)21-13-6-2-1-3-7-13/h1-12,21H
- Stored Murcko scaffold
- S(Nc1ccccc1)c2ccc3cc4ccccc4cc3c2
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.
- 1919964#13416
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 363.388 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.801
- 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 · 17511169