Molecule card · MolClass #37198
14726022
14726022: 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
- 14726022Mitochondrial Fusion · compound_name
- MolClass ID
- 37198
- InChIKey
- RQPNLQXHGVVKRW-UHFFFAOYSA-N
- Canonical SMILES
- CCCC(=O)n1nc(nc1(N))c2ccco2
- Standard InChI
- InChI=1S/C10H12N4O2/c1-2-4-8(15)14-10(11)12-9(13-14)7-5-3-6-16-7/h3,5-6H,2,4H2,1H3,(H2,11,12,13)
- Stored Murcko scaffold
- [N]1N=C(N=C1)c2occc2
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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 220.228 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.392
- 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 · 14726022