Molecule card · MolClass #41930
14724641
14724641: 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
- 14724641Mitochondrial Fusion · compound_name
- MolClass ID
- 41930
- InChIKey
- AZVCHXKUDQEKIJ-UHFFFAOYSA-N
- Canonical SMILES
- CC1=CC(=O)C=2C(=O)CC(C)(C)CC=2(O1)
- Standard InChI
- InChI=1S/C12H14O3/c1-7-4-8(13)11-9(14)5-12(2,3)6-10(11)15-7/h4H,5-6H2,1-3H3
- Stored Murcko scaffold
- O1C=C[CH]C=2[CH]CCCC12
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.
- 4256854#29965
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 206.238 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.512
- 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 · 14724641