Molecule card · MolClass #37971
14728333
14728333: 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
- 14728333Mitochondrial Fusion · compound_name
- MolClass ID
- 37971
- InChIKey
- UKEHAMKVPICBAU-UHFFFAOYSA-N
- Canonical SMILES
- CCOc2ccccc2(CNn1nnnc1(N))
- Standard InChI
- InChI=1S/C10H14N6O/c1-2-17-9-6-4-3-5-8(9)7-12-16-10(11)13-14-15-16/h3-6,12H,2,7H2,1H3,(H2,11,13,15)
- Stored Murcko scaffold
- n1ncn(n1)NCc2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 234.258 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.257
- 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 · 14728333