Molecule card · MolClass #50943
17413375
17413375: 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
- 17413375Mitochondrial Fusion · compound_name
- MolClass ID
- 50943
- InChIKey
- AZASGTHYKZBJLJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccccc4(NS(=O)(=O)c1cc(ccc1(C))C(=O)N2CCc3ccccc3(C2))
- Standard InChI
- InChI=1S/C24H24N2O3S/c1-17-7-3-6-10-22(17)25-30(28,29)23-15-20(12-11-18(23)2)24(27)26-14-13-19-8-4-5-9-21(19)16-26/h3-12,15,25H,13-14,16H2,1-2H3
- Stored Murcko scaffold
- S(Nc1ccccc1)c2cccc(c2)[CH]N3Cc4ccccc4CC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 420.526 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.27
- 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 · 17413375