Molecule card · MolClass #47579
24804054
24804054: 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
- 24804054Mitochondrial Fusion · compound_name
- MolClass ID
- 47579
- InChIKey
- UTPOHXXFQFBJCH-UHFFFAOYSA-N
- Canonical SMILES
- CCCC(=O)C=2C(=O)CC(C)(C)CC=2(Nc1ccccc1(O))
- Standard InChI
- InChI=1S/C18H23NO3/c1-4-7-15(21)17-13(10-18(2,3)11-16(17)22)19-12-8-5-6-9-14(12)20/h5-6,8-9,19-20H,4,7,10-11H2,1-3H3
- Stored Murcko scaffold
- c1ccc(cc1)NC2=C[CH]CCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.381 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.982
- 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 · 24804054