Molecule card · MolClass #48109
24804296
24804296: 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
- 24804296Mitochondrial Fusion · compound_name
- MolClass ID
- 48109
- InChIKey
- CDWZLRMCWHZLFT-BUHFOSPRSA-N
- Canonical SMILES
- O=C(O)CCCN3C(=O)C(O)=C(C(=O)c1ccccc1)C3(C=Cc2ccccc2)
- Standard InChI
- InChI=1S/C23H21NO5/c25-19(26)12-7-15-24-18(14-13-16-8-3-1-4-9-16)20(22(28)23(24)29)21(27)17-10-5-2-6-11-17/h1-6,8-11,13-14,18,28H,7,12,15H2,(H,25,26)/b14-13+
- Stored Murcko scaffold
- [N]1[CH]C=C([CH]c2ccccc2)C1C=Cc3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 391.417 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.95
- 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 · 24804296