Molecule card · MolClass #37096
14732815
14732815: 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
- 14732815Mitochondrial Fusion · compound_name
- MolClass ID
- 37096
- InChIKey
- GQNIQVDSKGKUEL-UHFFFAOYSA-N
- Canonical SMILES
- CCC4CCCN4(Cn1cnc2c3cc(ccc3(nc2(c1(O))))Cl)
- Standard InChI
- InChI=1S/C17H19ClN4O/c1-2-12-4-3-7-21(12)10-22-9-19-15-13-8-11(18)5-6-14(13)20-16(15)17(22)23/h5-6,8-9,12,23H,2-4,7,10H2,1H3
- 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.
- 14740966#36251
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
- 330.813 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.554
- 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 · 14732815