Molecule card · MolClass #45796
14740586
14740586: 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
- 14740586Mitochondrial Fusion · compound_name
- MolClass ID
- 45796
- InChIKey
- WUSFGGBBGXSBEN-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCN(CC1)C2=CC(=O)N(C(=O)N2)C3CCCCC3
- Standard InChI
- InChI=1S/C16H25N3O2/c1-12-7-9-18(10-8-12)14-11-15(20)19(16(21)17-14)13-5-3-2-4-6-13/h11-13H,2-10H2,1H3,(H,17,21)
- Stored Murcko scaffold
- C=1[CH]N([CH]NC1N2CCCCC2)C3CCCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.288
- 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 · 14740586