Molecule card · MolClass #36644
24813575
24813575: 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
- 24813575Mitochondrial Fusion · compound_name
- MolClass ID
- 36644
- InChIKey
- Not recorded
- Canonical SMILES
- CCOC(=O)c1c(n[nH]c1N3C(=O)Nc2ccccc2N3(O))c4cccc(c4)OC
- Standard InChI
- null
- Stored Murcko scaffold
- n1[nH]c(cc1-c2ccccc2)N3[CH]Nc4ccccc4N3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 120.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 409.396 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.181
- 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 · 24813575