Molecule card · MolClass #51341
16952858
16952858: 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
- 16952858Mitochondrial Fusion · compound_name
- MolClass ID
- 51341
- InChIKey
- NUBQYKPYSSKNEB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)NCc3ccco3
- Standard InChI
- InChI=1S/C19H18N2O4S/c1-14-4-6-15(7-5-14)19(22)21-16-8-10-18(11-9-16)26(23,24)20-13-17-3-2-12-25-17/h2-12,20H,13H2,1H3,(H,21,22)
- Stored Murcko scaffold
- o1cccc1CNSc2ccc(cc2)N[CH]c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.424 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.686
- 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 · 16952858