Molecule card · MolClass #36966
22413815
22413815: 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
- 22413815Mitochondrial Fusion · compound_name
- MolClass ID
- 36966
- InChIKey
- GDWFDKOUGCYTFH-UHFFFAOYSA-N
- Canonical SMILES
- CC1=CCN2C(=O)c3ccccc3(C(=O)N2(C1))
- Standard InChI
- InChI=1S/C13H12N2O2/c1-9-6-7-14-12(16)10-4-2-3-5-11(10)13(17)15(14)8-9/h2-6H,7-8H2,1H3
- Stored Murcko scaffold
- c1ccc2cn3n(cc2c1)CC=CC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 228.247 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.029
- 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 · 22413815