Molecule card · MolClass #42206
24826495
24826495: 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
- 24826495Mitochondrial Fusion · compound_name
- MolClass ID
- 42206
- InChIKey
- BVRISEIGABVOQV-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)Nc1ccc2c(c1)C(C)(C)C(C)N2(C)
- Standard InChI
- InChI=1S/C14H20N2O/c1-9-14(3,4)12-8-11(15-10(2)17)6-7-13(12)16(9)5/h6-9H,1-5H3,(H,15,17)
- Stored Murcko scaffold
- c1ccc2c(c1)NCC2
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.
- LOPAC 01010#597
- 32692-19-6#7538
- 19727-83-4#8149
- 11957577#9458
- HMDB04067#24125
- 24782398#30426
- 862351#30728
- 22414541#34797
- 4263265#41907
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 32.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 232.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.405
- 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 · 24826495