Molecule card · MolClass #37290
7978301
7978301: 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
- 7978301Mitochondrial Fusion · compound_name
- MolClass ID
- 37290
- InChIKey
- UOGUQCBEBHEPOX-PJQLUOCWSA-N
- Canonical SMILES
- CCc4ccc(C=NC23(CN1CN(CN(C1)C2)C3))s4
- Standard InChI
- InChI=1S/C14H20N4S/c1-2-12-3-4-13(19-12)5-15-14-6-16-9-17(7-14)11-18(8-14)10-16/h3-5H,2,6-11H2,1H3/b15-5+
- Stored Murcko scaffold
- N(=Cc1sccc1)C23CN4CN(CN(C4)C2)C3
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.
- 14735802#27053
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.402 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.222
- 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 · 7978301