Molecule card · MolClass #49504
24797442
24797442: 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
- 24797442Mitochondrial Fusion · compound_name
- MolClass ID
- 49504
- InChIKey
- KUIZOAOPZWKKHM-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccc(OCC(=O)Nc1ccccc1N2CCCC2)c(C)c3
- Standard InChI
- InChI=1S/C20H24N2O2/c1-15-9-10-19(16(2)13-15)24-14-20(23)21-17-7-3-4-8-18(17)22-11-5-6-12-22/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,21,23)
- Stored Murcko scaffold
- O(c1ccccc1)C[CH]Nc2ccccc2N3CCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.418 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.173
- 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 · 24797442