Molecule card · MolClass #41237
24788538
24788538: 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
- 24788538Mitochondrial Fusion · compound_name
- MolClass ID
- 41237
- InChIKey
- UFIGLUNGMFLBAE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(o1)C2OC=3CC(C)(C)CC(=O)C=3(C(N)=C2(C#N))
- Standard InChI
- InChI=1S/C17H18N2O3/c1-9-4-5-12(21-9)16-10(8-18)15(19)14-11(20)6-17(2,3)7-13(14)22-16/h4-5,16H,6-7,19H2,1-3H3
- Stored Murcko scaffold
- o1cccc1C2OC3=C(C=C2)[CH]CCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.337 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.188
- 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 · 24788538