Molecule card · MolClass #45673
14735290
14735290: 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
- 14735290Mitochondrial Fusion · compound_name
- MolClass ID
- 45673
- InChIKey
- VVRAFJAFNTZYGV-UHFFFAOYSA-N
- Canonical SMILES
- FC(F)(F)c1cc(nc(n1)n2cc(cn2)Cl)c3cccs3
- Standard InChI
- InChI=1S/C12H6ClF3N4S/c13-7-5-17-20(6-7)11-18-8(9-2-1-3-21-9)4-10(19-11)12(14,15)16/h1-6H
- Stored Murcko scaffold
- n1ccc(nc1-n2nccc2)-c3sccc3
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
- 3
- 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
- 71.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.718 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.28
- 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 · 14735290