Molecule card · MolClass #45874
7969610
7969610: 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
- 7969610Mitochondrial Fusion · compound_name
- MolClass ID
- 45874
- InChIKey
- GCZJRQIQHWPCNO-UHFFFAOYSA-N
- Canonical SMILES
- CCSC=2NC(=O)CC(c1cccc(O)c1)C=2(C#N)
- Standard InChI
- InChI=1S/C14H14N2O2S/c1-2-19-14-12(8-15)11(7-13(18)16-14)9-4-3-5-10(17)6-9/h3-6,11,17H,2,7H2,1H3,(H,16,18)
- Stored Murcko scaffold
- c1ccc(cc1)C2C=CN[CH]C2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.34 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.468
- 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 · 7969610