Molecule card · MolClass #48857
4247935
4247935: 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
- 4247935Mitochondrial Fusion · compound_name
- MolClass ID
- 48857
- InChIKey
- IALSPVAZYSXLIL-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c3cc(c1ccccc1)n(CC(=O)N2CCCC2)c3(C)
- Standard InChI
- InChI=1S/C20H24N2O3/c1-3-25-20(24)17-13-18(16-9-5-4-6-10-16)22(15(17)2)14-19(23)21-11-7-8-12-21/h4-6,9-10,13H,3,7-8,11-12,14H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)-c2cccn2C[CH]N3CCCC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.417 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.409
- 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 · 4247935