Molecule card · MolClass #49175
24819357
24819357: 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
- 24819357Mitochondrial Fusion · compound_name
- MolClass ID
- 49175
- InChIKey
- QEWBVSKCARMUHW-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CN4N=C3C(CCc2ccccc23)=CC4(=O)
- Standard InChI
- InChI=1S/C20H18N2O/c1-14-6-8-15(9-7-14)13-22-19(23)12-17-11-10-16-4-2-3-5-18(16)20(17)21-22/h2-9,12H,10-11,13H2,1H3
- Stored Murcko scaffold
- N1=C2c3ccccc3CCC2=C[CH]N1Cc4ccccc4
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.271
- 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 · 24819357