Molecule card · MolClass #49186
24819407
24819407: 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
- 24819407Mitochondrial Fusion · compound_name
- MolClass ID
- 49186
- InChIKey
- QDVKVCVAEINLGA-YPKPFQOOSA-N
- Canonical SMILES
- O=C(Nc1ccccc1Cl)C(=C(Cl)S(=O)c2ccccc2)Cl
- Standard InChI
- InChI=1S/C15H10Cl3NO2S/c16-11-8-4-5-9-12(11)19-15(20)13(17)14(18)22(21)10-6-2-1-3-7-10/h1-9H,(H,19,20)/b14-13-
- Stored Murcko scaffold
- S(C=C[CH]Nc1ccccc1)c2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 374.671 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.267
- 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 · 24819407