Molecule card · MolClass #37187
7965192
7965192: 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
- 7965192Mitochondrial Fusion · compound_name
- MolClass ID
- 37187
- InChIKey
- UOQNJWXKOMHPLA-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1cc(ccc1(O))C2CC(=O)N3CN(CSC3(=C2(C#N)))C4CCCCC4
- Standard InChI
- InChI=1S/C22H27N3O3S/c1-2-28-20-10-15(8-9-19(20)26)17-11-21(27)25-13-24(16-6-4-3-5-7-16)14-29-22(25)18(17)12-23/h8-10,16-17,26H,2-7,11,13-14H2,1H3
- Stored Murcko scaffold
- S1C2=CC(c3ccccc3)C[CH]N2CN(C1)C4CCCCC4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 413.535 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.507
- 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 · 7965192