Molecule card · MolClass #44745
24816232
24816232: 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
- 24816232Mitochondrial Fusion · compound_name
- MolClass ID
- 44745
- InChIKey
- UOHZTZVRSZMUQT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)N=C2CSC(=O)N2
- Standard InChI
- InChI=1S/C10H10N2OS/c1-7-3-2-4-8(5-7)11-9-6-14-10(13)12-9/h2-5H,6H2,1H3,(H,11,12,13)
- Stored Murcko scaffold
- N(c1ccccc1)=C2N[CH]SC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 206.266 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.388
- 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 · 24816232