Molecule card · MolClass #50120
22406778
22406778: 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
- 22406778Mitochondrial Fusion · compound_name
- MolClass ID
- 50120
- InChIKey
- YLEQKMDWMDTCQI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)c3nc(Nc2ccccc2)sc3Cl
- Standard InChI
- InChI=1S/C16H13ClN2O2S2/c1-11-7-9-13(10-8-11)23(20,21)15-14(17)22-16(19-15)18-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)
- Stored Murcko scaffold
- n1c(Sc2ccccc2)csc1Nc3ccccc3
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
- 95.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.872 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.788
- 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 · 22406778