Molecule card · MolClass #41623
24804210
24804210: 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
- 24804210Mitochondrial Fusion · compound_name
- MolClass ID
- 41623
- InChIKey
- FOEIWTDMPBFADW-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(N)n(Cc1cccs1)n2
- Standard InChI
- InChI=1S/C9H11N3S/c1-7-5-9(10)12(11-7)6-8-3-2-4-13-8/h2-5H,6,10H2,1H3
- Stored Murcko scaffold
- n1cccn1Cc2sccc2
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.
- 17517299#38706
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 193.27 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.225
- 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 · 24804210