Molecule card · MolClass #42168
14726079
14726079: 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
- 14726079Mitochondrial Fusion · compound_name
- MolClass ID
- 42168
- InChIKey
- ODNJKWPRAKZKCJ-UHFFFAOYSA-N
- Canonical SMILES
- CCc2cc1C(=O)N(CCO)C(CC)=Nc1s2
- Standard InChI
- InChI=1S/C12H16N2O2S/c1-3-8-7-9-11(17-8)13-10(4-2)14(5-6-15)12(9)16/h7,15H,3-6H2,1-2H3
- Stored Murcko scaffold
- n1cnc2sccc2c1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 252.334 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.383
- 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 · 14726079