Molecule card · MolClass #51904
14722071
14722071: 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
- 14722071Mitochondrial Fusion · compound_name
- MolClass ID
- 51904
- InChIKey
- WGSDXPBLMFVOKN-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccc(cc3(C(=O)CSc2nnnn2(C1CCCCC1)))Cl
- Standard InChI
- InChI=1S/C16H19ClN4O2S/c1-23-15-8-7-11(17)9-13(15)14(22)10-24-16-18-19-20-21(16)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3
- Stored Murcko scaffold
- n1nc(SC[CH]c2ccccc2)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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.867 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.423
- 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 · 14722071