Molecule card · MolClass #51602
14735073
14735073: 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
- 14735073Mitochondrial Fusion · compound_name
- MolClass ID
- 51602
- InChIKey
- PWVZMNQKHOKJHG-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc4c(c1)nc(c2ccco2)n4(CCOc3ccc(cc3)Cl)
- Standard InChI
- InChI=1S/C19H15ClN2O2/c20-14-7-9-15(10-8-14)23-13-11-22-17-5-2-1-4-16(17)21-19(22)18-6-3-12-24-18/h1-10,12H,11,13H2
- Stored Murcko scaffold
- n1c2ccccc2n(c1-c3occc3)CCOc4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 338.788 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.623
- 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 · 14735073