Molecule card · MolClass #40721
14737384
14737384: 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
- 14737384Mitochondrial Fusion · compound_name
- MolClass ID
- 40721
- InChIKey
- Not recorded
- Canonical SMILES
- CC(C)C4C(C#N)=C(N)Oc3[nH]nc(c1ccc2ccccc2(c1))c34
- Standard InChI
- null
- Stored Murcko scaffold
- n1[nH]c2OC=CCc2c1-c3ccc4ccccc4c3
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.
No other molecules currently have this stored scaffold.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.384 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.317
- 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 · 14737384