Molecule card · MolClass #43637
24792041
24792041: 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
- 24792041Mitochondrial Fusion · compound_name
- MolClass ID
- 43637
- InChIKey
- HQAUSBKKAMMJMT-MDWZMJQESA-N
- Canonical SMILES
- Cc3ccsc3(C=C2NC(=O)N(Cc1ccc(F)cc1)C2(=O))
- Standard InChI
- InChI=1S/C16H13FN2O2S/c1-10-6-7-22-14(10)8-13-15(20)19(16(21)18-13)9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,18,21)/b13-8+
- Stored Murcko scaffold
- s1cccc1C=C2[CH]N([CH]N2)Cc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.763
- 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 · 24792041