Molecule card · MolClass #38350
24823233
24823233: 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
- 24823233Mitochondrial Fusion · compound_name
- MolClass ID
- 38350
- InChIKey
- JXGFRGUOWBAYAC-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c1c(csc1N3C(=O)Nc2ccccc2N3(O))c4ccccc4
- Standard InChI
- InChI=1S/C19H15N3O4S/c1-26-18(23)16-13(12-7-3-2-4-8-12)11-27-17(16)21-19(24)20-14-9-5-6-10-15(14)22(21)25/h2-11,25H,1H3,(H,20,24)
- Stored Murcko scaffold
- s1cc(cc1N2[CH]Nc3ccccc3N2)-c4ccccc4
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.
- 24813636#39022
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 110.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.407 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.581
- 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 · 24823233