Molecule card · MolClass #49534
24795080
24795080: 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
- 24795080Mitochondrial Fusion · compound_name
- MolClass ID
- 49534
- InChIKey
- UYRGDWPZKLPRRE-UHFFFAOYSA-N
- Canonical SMILES
- Cc2c3nc(cc(C(=O)NCCN1CCCCC1)c3(ccc2Cl))c4ccccn4
- Standard InChI
- InChI=1S/C23H25ClN4O/c1-16-19(24)9-8-17-18(23(29)26-11-14-28-12-5-2-6-13-28)15-21(27-22(16)17)20-7-3-4-10-25-20/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,26,29)
- Stored Murcko scaffold
- n1ccccc1-c2nc3ccccc3c([CH]NCCN4CCCCC4)c2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 408.925 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.961
- 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 · 24795080