Molecule card · MolClass #48208
24831686
24831686: 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
- 24831686Mitochondrial Fusion · compound_name
- MolClass ID
- 48208
- InChIKey
- NHNSEGMPDFMSLO-CMDGGOBGSA-N
- Canonical SMILES
- CCNC(=O)COC(=O)C=Cc2c(C)nn(Cc1cccc(c1)OC)c2Cl
- Standard InChI
- InChI=1S/C19H22ClN3O4/c1-4-21-17(24)12-27-18(25)9-8-16-13(2)22-23(19(16)20)11-14-6-5-7-15(10-14)26-3/h5-10H,4,11-12H2,1-3H3,(H,21,24)/b9-8+
- Stored Murcko scaffold
- n1cccn1Cc2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 391.849 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.756
- 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 · 24831686