Molecule card · MolClass #35576
24802705
24802705: 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
- 24802705Mitochondrial Fusion · compound_name
- MolClass ID
- 35576
- InChIKey
- KMAADYHUXQJRTR-UHFFFAOYSA-N
- Canonical SMILES
- CCCC=1c2ccc(C)n2(CC[N+]=1(CC(C)=O))
- Standard InChI
- InChI=1S/C14H21N2O/c1-4-5-13-14-7-6-11(2)16(14)9-8-15(13)10-12(3)17/h6-7H,4-5,8-10H2,1-3H3/q+1
- Stored Murcko scaffold
- c1cc2C=[NH+]CCn2c1
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 25.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 233.33 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.1
- 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 · 24802705