Molecule card · MolClass #50210
22403214
22403214: 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
- 22403214Mitochondrial Fusion · compound_name
- MolClass ID
- 50210
- InChIKey
- IACVUGNZOPLPHX-UHFFFAOYSA-N
- Canonical SMILES
- CCOc3ccccc3(NC(=O)C(OC(=O)c1ccc(O)cc1)c2ccccc2)
- Standard InChI
- InChI=1S/C23H21NO5/c1-2-28-20-11-7-6-10-19(20)24-22(26)21(16-8-4-3-5-9-16)29-23(27)17-12-14-18(25)15-13-17/h3-15,21,25H,2H2,1H3,(H,24,26)
- Stored Murcko scaffold
- O([CH]c1ccccc1)C([CH]Nc2ccccc2)c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 391.417 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.203
- 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 · 22403214