Molecule card · MolClass #43318
24836880
24836880: 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
- 24836880Mitochondrial Fusion · compound_name
- MolClass ID
- 43318
- InChIKey
- ZUEPDPWATBVSFH-NTUHNPAUSA-N
- Canonical SMILES
- Cc2cc(C=C(C#N)C(=O)O)c(C)n2(CC1CCCO1)
- Standard InChI
- InChI=1S/C15H18N2O3/c1-10-6-12(7-13(8-16)15(18)19)11(2)17(10)9-14-4-3-5-20-14/h6-7,14H,3-5,9H2,1-2H3,(H,18,19)/b13-7+
- Stored Murcko scaffold
- O1CCCC1Cn2cccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.316 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.394
- 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 · 24836880