Molecule card · MolClass #36251
14740966
14740966: 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
- 14740966Mitochondrial Fusion · compound_name
- MolClass ID
- 36251
- InChIKey
- BANGNTXEKQXDHH-UHFFFAOYSA-N
- Canonical SMILES
- CCC4CCCN4(Cn1cnc2c3cc(C)ccc3(nc2(c1(O))))
- Standard InChI
- InChI=1S/C18H22N4O/c1-3-13-5-4-8-21(13)11-22-10-19-16-14-9-12(2)6-7-15(14)20-17(16)18(22)23/h6-7,9-10,13,23H,3-5,8,11H2,1-2H3
- Stored Murcko scaffold
- n1cn(cc-2nc3ccccc3c12)CN4CCCC4
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.
- 14732815#37096
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.394 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.369
- 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 · 14740966