Molecule card · MolClass #38401
24802637
24802637: 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
- 24802637Mitochondrial Fusion · compound_name
- MolClass ID
- 38401
- InChIKey
- VWVJEYKKXYWGRG-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CCc3ccc(c1ccccc1)n3(NC(=O)c2cccs2)
- Standard InChI
- InChI=1S/C18H16N2O3S/c21-17(22)11-9-14-8-10-15(13-5-2-1-3-6-13)20(14)19-18(23)16-7-4-12-24-16/h1-8,10,12H,9,11H2,(H,19,23)(H,21,22)
- Stored Murcko scaffold
- s1cccc1[CH]Nn2cccc2-c3ccccc3
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.
- 4264086#39330
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.398 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.396
- 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 · 24802637