Molecule card · MolClass #48818
7973634
7973634: 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
- 7973634Mitochondrial Fusion · compound_name
- MolClass ID
- 48818
- InChIKey
- OPIZLSIPYCJLOD-UHFFFAOYSA-N
- Canonical SMILES
- CCCC(=O)C1=C(CC(C)(C)C(C(=O)OC)C1(=O))Nc2ccccc2
- Standard InChI
- InChI=1S/C20H25NO4/c1-5-9-15(22)16-14(21-13-10-7-6-8-11-13)12-20(2,3)17(18(16)23)19(24)25-4/h6-8,10-11,17,21H,5,9,12H2,1-4H3
- 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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.418 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.442
- 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 · 7973634