Molecule card · MolClass #37622
843769
843769: 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
- 843769Mitochondrial Fusion · compound_name
- MolClass ID
- 37622
- InChIKey
- IWJVWMRNUZDTCR-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)NC2=NC(=O)c1ccccc1S2
- Standard InChI
- InChI=1S/C10H8N2O2S/c1-6(13)11-10-12-9(14)7-4-2-3-5-8(7)15-10/h2-5H,1H3,(H,11,12,13,14)
- Stored Murcko scaffold
- N1=CSc2ccccc2[CH]1
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 83.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 220.249 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.559
- 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 · 843769