Molecule card · MolClass #40222
3712933
3712933: 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
- 3712933Mitochondrial Fusion · compound_name
- MolClass ID
- 40222
- InChIKey
- YSMUIMWYNWGLNF-UITAMQMPSA-N
- Canonical SMILES
- N#CC=C2NC(=O)c1ccccc1S2
- Standard InChI
- InChI=1S/C10H6N2OS/c11-6-5-9-12-10(13)7-3-1-2-4-8(7)14-9/h1-5H,(H,12,13)/b9-5-
- Stored Murcko scaffold
- S1[CH]N[CH]c2ccccc12
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 202.234 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.543
- 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 · 3712933