Molecule card · MolClass #45729
24810760
24810760: 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
- 24810760Mitochondrial Fusion · compound_name
- MolClass ID
- 45729
- InChIKey
- HMEJHPVPSAQVDV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)Nc3nc2ccccc2n4nnnc34
- Standard InChI
- InChI=1S/C15H12N6/c1-10-6-8-11(9-7-10)16-14-15-18-19-20-21(15)13-5-3-2-4-12(13)17-14/h2-9H,1H3,(H,16,17)
- 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
- 276.297 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 · 24810760