Molecule card · MolClass #42228
4263934
4263934: 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
- 4263934Mitochondrial Fusion · compound_name
- MolClass ID
- 42228
- InChIKey
- WSWKTGGWKWOTTN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc(C)c2c(O)cc(nc2(n1))c3ccccc3
- Standard InChI
- InChI=1S/C15H13N3O/c1-9-14-13(19)8-12(11-6-4-3-5-7-11)18-15(14)17-10(2)16-9/h3-8H,1-2H3,(H,16,17,18,19)
- Stored Murcko scaffold
- n1cnc2nc(ccc2c1)-c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 251.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.296
- 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 · 4263934