Molecule card · MolClass #49282
24812900
24812900: 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
- 24812900Mitochondrial Fusion · compound_name
- MolClass ID
- 49282
- InChIKey
- ANDCOOMDDOLLRM-FYJGNVAPSA-N
- Canonical SMILES
- Fc1ccc(cc1)Nc3nc(NN=Cc2ccco2)nc(n3)N4CCCCC4
- Standard InChI
- InChI=1S/C19H20FN7O/c20-14-6-8-15(9-7-14)22-17-23-18(26-21-13-16-5-4-12-28-16)25-19(24-17)27-10-2-1-3-11-27/h4-9,12-13H,1-3,10-11H2,(H2,22,23,24,25,26)/b21-13+
- Stored Murcko scaffold
- N(=Cc1occc1)Nc2nc(nc(n2)N3CCCCC3)Nc4ccccc4
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.
- 24788078#49671
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.408 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.668
- 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 · 24812900