Molecule card · MolClass #42781
14743532
14743532: 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
- 14743532Mitochondrial Fusion · compound_name
- MolClass ID
- 42781
- InChIKey
- GSJZMTNYNNSREY-UHFFFAOYSA-N
- Canonical SMILES
- CCCC(=O)NC2=C(C(=O)c1ccccc1N2(C))c3cccs3
- Standard InChI
- InChI=1S/C18H18N2O2S/c1-3-7-15(21)19-18-16(14-10-6-11-23-14)17(22)12-8-4-5-9-13(12)20(18)2/h4-6,8-11H,3,7H2,1-2H3,(H,19,21)
- Stored Murcko scaffold
- s1cccc1C2=CNc3ccccc3[CH]2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.414 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.581
- 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 · 14743532