Molecule card · MolClass #37085
14732139
14732139: 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
- 14732139Mitochondrial Fusion · compound_name
- MolClass ID
- 37085
- InChIKey
- Not recorded
- Canonical SMILES
- CCOC(=O)N1CCC3(CC1)(C(C#N)=C(N)Oc2[nH]nc(C)c23)
- Standard InChI
- null
- Stored Murcko scaffold
- n1cc2c(OC=CC23CC[N]CC3)[nH]1
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.
- 843320#36416
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 117.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.344 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.692
- 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 · 14732139