Molecule card · MolClass #36968
22412376
22412376: 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
- 22412376Mitochondrial Fusion · compound_name
- MolClass ID
- 36968
- InChIKey
- DUVCZACXAHCUHM-GHXNOFRVSA-N
- Canonical SMILES
- Cc1cccc2C(=CC(N)=O)NC(C)(C)Cc12
- Standard InChI
- InChI=1S/C14H18N2O/c1-9-5-4-6-10-11(9)8-14(2,3)16-12(10)7-13(15)17/h4-7,16H,8H2,1-3H3,(H2,15,17)/b12-7-
- Stored Murcko scaffold
- c1ccc2c(c1)[CH]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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 230.306 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.741
- 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 · 22412376