Molecule card · MolClass #44150
24819706
24819706: 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
- 24819706Mitochondrial Fusion · compound_name
- MolClass ID
- 44150
- InChIKey
- HEROYCYJPFRIST-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)Nc3nc2ccccc2n4nnnc34
- Standard InChI
- InChI=1S/C14H10N6/c1-2-6-10(7-3-1)15-13-14-17-18-19-20(14)12-9-5-4-8-11(12)16-13/h1-9H,(H,15,16)
- Stored Murcko scaffold
- n1nc2c(nc3ccccc3n2n1)Nc4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.27 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.684
- 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 · 24819706