Molecule card · MolClass #49602
24792142
24792142: 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
- 24792142Mitochondrial Fusion · compound_name
- MolClass ID
- 49602
- InChIKey
- HZFLAEIPPQDZSL-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cccc(C)c3(OCCNC(=O)c1ccc2ccccc2(n1))
- Standard InChI
- InChI=1S/C20H20N2O2/c1-14-6-5-7-15(2)19(14)24-13-12-21-20(23)18-11-10-16-8-3-4-9-17(16)22-18/h3-11H,12-13H2,1-2H3,(H,21,23)
- Stored Murcko scaffold
- n1c(ccc2ccccc12)[CH]NCCOc3ccccc3
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.
- 24786037#49737
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.386 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.798
- 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 · 24792142