Molecule card · MolClass #42198
22400693
22400693: 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
- 22400693Mitochondrial Fusion · compound_name
- MolClass ID
- 42198
- InChIKey
- WDSWKOQBNNPOOZ-MHWRWJLKSA-N
- Canonical SMILES
- Cc2ccc(N=CC=1CCCCC=1(O))c(C)c2
- Standard InChI
- InChI=1S/C15H19NO/c1-11-7-8-14(12(2)9-11)16-10-13-5-3-4-6-15(13)17/h7-10,17H,3-6H2,1-2H3/b16-10+
- Stored Murcko scaffold
- N(=CC1=CCCCC1)c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 229.318 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.071
- 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 · 22400693