Molecule card · MolClass #51686
14731410
14731410: 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
- 14731410Mitochondrial Fusion · compound_name
- MolClass ID
- 51686
- InChIKey
- HCJGZHRCDDBXLG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c2nc3cc(ccc3(o2))NS(=O)(=O)c4ccc(C)cc4
- Standard InChI
- InChI=1S/C21H18N2O3S/c1-14-3-7-16(8-4-14)21-22-19-13-17(9-12-20(19)26-21)23-27(24,25)18-10-5-15(2)6-11-18/h3-13,23H,1-2H3
- Stored Murcko scaffold
- n1c(oc2ccc(cc12)NSc3ccccc3)-c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 378.446 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.727
- 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 · 14731410