Molecule card · MolClass #44484
24826253
24826253: 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
- 24826253Mitochondrial Fusion · compound_name
- MolClass ID
- 44484
- InChIKey
- OWGJKKLMVHBULX-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1cc(nn1(CCC#N))c2ccccc2
- Standard InChI
- InChI=1S/C15H15N3O2/c1-2-20-15(19)14-11-13(12-7-4-3-5-8-12)17-18(14)10-6-9-16/h3-5,7-8,11H,2,6,10H2,1H3
- Stored Murcko scaffold
- n1[nH]ccc1-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.
View all molecules with this 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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.299 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.478
- 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 · 24826253