Molecule card · MolClass #49626
24788764
24788764: 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
- 24788764Mitochondrial Fusion · compound_name
- MolClass ID
- 49626
- InChIKey
- WKITUBGDGDTMFC-UHFFFAOYSA-N
- Canonical SMILES
- O=[N+]([O-])c1ccc(cc1)Nc3nc(NC2CCCCC2)nc(n3)N4CCCC4
- Standard InChI
- InChI=1S/C19H25N7O2/c27-26(28)16-10-8-15(9-11-16)21-18-22-17(20-14-6-2-1-3-7-14)23-19(24-18)25-12-4-5-13-25/h8-11,14H,1-7,12-13H2,(H2,20,21,22,23,24)
- Stored Murcko scaffold
- n1c(nc(nc1NC2CCCCC2)N3CCCC3)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- 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
- 109.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 383.448 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.496
- 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 · 24788764