Molecule card · MolClass #44637
24813916
24813916: 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
- 24813916Mitochondrial Fusion · compound_name
- MolClass ID
- 44637
- InChIKey
- QNOUUJYNWOHGAU-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c4ccccc4(NC(c1ccco1)N3(NS(=O)(=O)c2ccccc2))
- Standard InChI
- InChI=1S/C18H15N3O4S/c22-18-14-9-4-5-10-15(14)19-17(16-11-6-12-25-16)21(18)20-26(23,24)13-7-2-1-3-8-13/h1-12,17,19-20H
- Stored Murcko scaffold
- o1cccc1C2Nc3ccccc3[CH]N2NSc4ccccc4
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.
- 24813919#45095
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- 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
- 100.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.396 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.256
- 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 · 24813916