Molecule card · MolClass #45096
24798597
24798597: 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
- 24798597Mitochondrial Fusion · compound_name
- MolClass ID
- 45096
- InChIKey
- ZAMPGBUOYPFEPA-UHFFFAOYSA-N
- Canonical SMILES
- CCc3cc(CNC(=O)CCc2nnc(CCCc1ccccc1)o2)on3
- Standard InChI
- InChI=1S/C20H24N4O3/c1-2-16-13-17(27-24-16)14-21-18(25)11-12-20-23-22-19(26-20)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3,(H,21,25)
- Stored Murcko scaffold
- n1nc(oc1CC[CH]NCc2oncc2)CCCc3ccccc3
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.
- 24800213#44074
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 11
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.43 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.714
- 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 · 24798597