Molecule card · MolClass #37464
14743227
14743227: 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
- 14743227Mitochondrial Fusion · compound_name
- MolClass ID
- 37464
- InChIKey
- RWYZPDRWQFHKAI-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc3c(c1)nc4c(O)n(CCC2=CCCCC2)cnc34
- Standard InChI
- InChI=1S/C19H21N3O2/c1-24-14-7-8-15-16(11-14)21-18-17(15)20-12-22(19(18)23)10-9-13-5-3-2-4-6-13/h5,7-8,11-12,23H,2-4,6,9-10H2,1H3
- Stored Murcko scaffold
- n1cn(cc-2nc3ccccc3c12)CCC4=CCCCC4
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.
- 857279#38149
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 60.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.186
- 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 · 14743227