Molecule card · MolClass #44312
14743780
14743780: 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
- 14743780Mitochondrial Fusion · compound_name
- MolClass ID
- 44312
- InChIKey
- FYHSQIKEGGXVMU-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)n3nnnc3(NCc2cccc(c2)Cl)
- Standard InChI
- InChI=1S/C14H12ClN5/c15-12-6-4-5-11(9-12)10-16-14-17-18-19-20(14)13-7-2-1-3-8-13/h1-9H,10H2,(H,16,17,19)
- Stored Murcko scaffold
- n1nc(NCc2ccccc2)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.
- 16952683#28986
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.732 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.246
- 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 · 14743780