Molecule card · MolClass #51881
14723804
14723804: 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
- 14723804Mitochondrial Fusion · compound_name
- MolClass ID
- 51881
- InChIKey
- ZMXFYSDOHWBESK-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc(c3nnn(Cc1ccccc1)c3(n2))N(C)Cc4ccccc4
- Standard InChI
- InChI=1S/C20H20N6/c1-15-21-19(25(2)13-16-9-5-3-6-10-16)18-20(22-15)26(24-23-18)14-17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3
- Stored Murcko scaffold
- n1nn(c2ncnc(NCc3ccccc3)c12)Cc4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.414 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.111
- 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 · 14723804