Molecule card · MolClass #38578
24818799
24818799: 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
- 24818799Mitochondrial Fusion · compound_name
- MolClass ID
- 38578
- InChIKey
- BMIOHONQFGSUDS-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)S(=O)(=O)NN(C)C(=O)C2=NN(C=CC2(=O))c3ccccc3
- Standard InChI
- InChI=1S/C19H18N4O5S/c1-22(21-29(26,27)16-10-8-15(28-2)9-11-16)19(25)18-17(24)12-13-23(20-18)14-6-4-3-5-7-14/h3-13,21H,1-2H3
- Stored Murcko scaffold
- [N]([CH]C1=NN(C=C[CH]1)c2ccccc2)NSc3ccccc3
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 414.437 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.332
- 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 · 24818799