Molecule card · MolClass #38344
4241816
4241816: 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
- 4241816Mitochondrial Fusion · compound_name
- MolClass ID
- 38344
- InChIKey
- Not recorded
- Canonical SMILES
- CC(C)c4n[nH]c3OC(N)=C(C#N)C1(CCN(CC1)Cc2ccccc2)c34
- Standard InChI
- null
- Stored Murcko scaffold
- n1cc2c(OC=CC23CCN(Cc4ccccc4)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.
- 4256158#37382
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 90.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 363.457 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.565
- 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 · 4241816