Molecule card · MolClass #49605
24792203
24792203: 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
- 24792203Mitochondrial Fusion · compound_name
- MolClass ID
- 49605
- InChIKey
- NORMUQLSOJFKNV-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccccc3(NC(NC(=O)c2c(C)onc2(c1ccccc1Cl))=S)
- Standard InChI
- InChI=1S/C19H16ClN3O3S/c1-11-16(17(23-26-11)12-7-3-4-8-13(12)20)18(24)22-19(27)21-14-9-5-6-10-15(14)25-2/h3-10H,1-2H3,(H2,21,22,24,27)
- Stored Murcko scaffold
- n1occ([CH]N[CH]Nc2ccccc2)c1-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.
- 24792045#49603
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 108.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 401.868 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.716
- 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 · 24792203