Molecule card · MolClass #39284
4257215
4257215: 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
- 4257215Mitochondrial Fusion · compound_name
- MolClass ID
- 39284
- InChIKey
- JADLDVCEEQBBDH-UHFFFAOYSA-N
- Canonical SMILES
- Cc4cccc2c4(nc(c1ccccc1)n3nnnc23)
- Standard InChI
- InChI=1S/C15H11N5/c1-10-6-5-9-12-13(10)16-14(11-7-3-2-4-8-11)20-15(12)17-18-19-20/h2-9H,1H3
- Stored Murcko scaffold
- n1nc2c3ccccc3nc(-c4ccccc4)n2n1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.282 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.121
- 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 · 4257215