Molecule card · MolClass #49701
24786425
24786425: 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
- 24786425Mitochondrial Fusion · compound_name
- MolClass ID
- 49701
- InChIKey
- LQAYHPHANQLGGJ-UHFFFAOYSA-N
- Canonical SMILES
- COCC(=O)N1CCCC(C1)C(=O)c2ccc(c(F)c2)c3ccccc3
- Standard InChI
- InChI=1S/C21H22FNO3/c1-26-14-20(24)23-11-5-8-17(13-23)21(25)16-9-10-18(19(22)12-16)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3
- Stored Murcko scaffold
- [N]1CCCC([CH]c2ccc(cc2)-c3ccccc3)C1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.403 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.33
- 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 · 24786425