Molecule card · MolClass #50207
22403239
22403239: 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
- 22403239Mitochondrial Fusion · compound_name
- MolClass ID
- 50207
- InChIKey
- WRCXFULUOFBSED-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(=O)C(Nc2cccc(C)c2)c3ccccc3
- Standard InChI
- InChI=1S/C22H22N2O/c1-16-11-13-19(14-12-16)24-22(25)21(18-8-4-3-5-9-18)23-20-10-6-7-17(2)15-20/h3-15,21,23H,1-2H3,(H,24,25)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]C(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.
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.424 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.855
- 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 · 22403239