Molecule card · MolClass #50114
22406473
22406473: 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
- 22406473Mitochondrial Fusion · compound_name
- MolClass ID
- 50114
- InChIKey
- UIMNDLRADBDQMF-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nc(Nc1ccccc1)sc3(c2ccccc2)
- Standard InChI
- InChI=1S/C16H14N2S/c1-12-15(13-8-4-2-5-9-13)19-16(17-12)18-14-10-6-3-7-11-14/h2-11H,1H3,(H,17,18)
- Stored Murcko scaffold
- n1cc(sc1Nc2ccccc2)-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.
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.362 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.921
- 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 · 22406473