Molecule card · MolClass #49038
24828251
24828251: 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
- 24828251Mitochondrial Fusion · compound_name
- MolClass ID
- 49038
- InChIKey
- GHTQTHBTHYZPKR-UHFFFAOYSA-N
- Canonical SMILES
- CCOc3ccccc3(NC(=O)C(NCC1CCCCC1)c2ccccc2)
- Standard InChI
- InChI=1S/C23H30N2O2/c1-2-27-21-16-10-9-15-20(21)25-23(26)22(19-13-7-4-8-14-19)24-17-18-11-5-3-6-12-18/h4,7-10,13-16,18,22,24H,2-3,5-6,11-12,17H2,1H3,(H,25,26)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]C(NCC2CCCCC2)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.
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.497 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.92
- 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 · 24828251