Molecule card · MolClass #50205
22402948
22402948: 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
- 22402948Mitochondrial Fusion · compound_name
- MolClass ID
- 50205
- InChIKey
- CDSVGYLLNORJAB-XQNSMLJCSA-N
- Canonical SMILES
- N#CC(=Cc1cccc(c1)OCc2ccccc2)C(=O)NCCc3ccccc3
- Standard InChI
- InChI=1S/C25H22N2O2/c26-18-23(25(28)27-15-14-20-8-3-1-4-9-20)16-22-12-7-13-24(17-22)29-19-21-10-5-2-6-11-21/h1-13,16-17H,14-15,19H2,(H,27,28)/b23-16+
- Stored Murcko scaffold
- O(c1cccc(C=C[CH]NCCc2ccccc2)c1)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
- 3
- 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
- 62.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.455 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.833
- 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 · 22402948