Molecule card · MolClass #49658
24788523
24788523: 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
- 24788523Mitochondrial Fusion · compound_name
- MolClass ID
- 49658
- InChIKey
- TUVXZJRMAGIVJH-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc5c(c1)nc(nc5(NC4C2CC3CC(C2)CC4(C3)))N6CCOCC6
- Standard InChI
- InChI=1S/C22H28N4O/c1-2-4-19-18(3-1)21(25-22(23-19)26-5-7-27-8-6-26)24-20-16-10-14-9-15(12-16)13-17(20)11-14/h1-4,14-17,20H,5-13H2,(H,23,24,25)
- Stored Murcko scaffold
- n1c(nc(NC2C3CC4CC(C3)CC2C4)c5ccccc15)N6CCOCC6
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.485 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.873
- 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 · 24788523