Molecule card · MolClass #39203
3714916
3714916: 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
- 3714916Mitochondrial Fusion · compound_name
- MolClass ID
- 39203
- InChIKey
- WTFRYRFNRVFFEJ-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)C2=CCn3nnnc3(N2)
- Standard InChI
- InChI=1S/C10H9N5/c1-2-4-8(5-3-1)9-6-7-15-10(11-9)12-13-14-15/h1-6H,7H2,(H,11,12,14)
- Stored Murcko scaffold
- n1nc2NC(=CCn2n1)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
- 55.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 199.212 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.564
- 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 · 3714916