Molecule card · MolClass #51882
14723938
14723938: 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
- 14723938Mitochondrial Fusion · compound_name
- MolClass ID
- 51882
- InChIKey
- XMDUVSXYPFNFKW-UHFFFAOYSA-N
- Canonical SMILES
- Cc3c(C)sc(NC(=O)CSc2nnnn2(C1CCCCC1))c3(C#N)
- Standard InChI
- InChI=1S/C16H20N6OS2/c1-10-11(2)25-15(13(10)8-17)18-14(23)9-24-16-19-20-21-22(16)12-6-4-3-5-7-12/h12H,3-7,9H2,1-2H3,(H,18,23)
- Stored Murcko scaffold
- n1nc(SC[CH]Nc2sccc2)n(n1)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 150.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.502 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.365
- 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 · 14723938