Molecule card · MolClass #35891
24817595
24817595: 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
- 24817595Mitochondrial Fusion · compound_name
- MolClass ID
- 35891
- InChIKey
- MONOJCRTUSPWEI-UHFFFAOYSA-N
- Canonical SMILES
- CCNC(=O)n1cc(c(n1)c2ccccc2)n3cncn3
- Standard InChI
- InChI=1S/C14H14N6O/c1-2-16-14(21)19-8-12(20-10-15-9-17-20)13(18-19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,16,21)
- Stored Murcko scaffold
- [N]1N=C(c2ccccc2)C(=C1)n3ncnc3
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.
- 24821708#28676
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.301 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.889
- 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 · 24817595