Molecule card · MolClass #51422
14743760
14743760: 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
- 14743760Mitochondrial Fusion · compound_name
- MolClass ID
- 51422
- InChIKey
- QLTMZWGLVHFRFA-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)c3ccsc3(NC(=O)COC(=O)Cc2cccc1ccccc12)
- Standard InChI
- InChI=1S/C19H16N2O4S/c20-18(24)15-8-9-26-19(15)21-16(22)11-25-17(23)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-9H,10-11H2,(H2,20,24)(H,21,22)
- Stored Murcko scaffold
- O([CH]Cc1cccc2ccccc21)C[CH]Nc3sccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 126.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.408 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.437
- 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 · 14743760