Molecule card · MolClass #49809
24782348
24782348: 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
- 24782348Mitochondrial Fusion · compound_name
- MolClass ID
- 49809
- InChIKey
- QVWLDCCGSCVYTL-UHFFFAOYSA-N
- Canonical SMILES
- O=C(COC(=O)CC(c1ccccc1)c2ccccc2)Nc3ccc(F)c(F)c3
- Standard InChI
- InChI=1S/C23H19F2NO3/c24-20-12-11-18(13-21(20)25)26-22(27)15-29-23(28)14-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,19H,14-15H2,(H,26,27)
- Stored Murcko scaffold
- O([CH]CC(c1ccccc1)c2ccccc2)C[CH]Nc3ccccc3
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
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 395.4 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.489
- 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 · 24782348