Molecule card · MolClass #35919
14742257
14742257: 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
- 14742257Mitochondrial Fusion · compound_name
- MolClass ID
- 35919
- InChIKey
- DMZNGLKPGAVSMW-UHFFFAOYSA-N
- Canonical SMILES
- COn3c4CCc1nonc1c4(nc3(c2ccccc2))
- Standard InChI
- InChI=1S/C14H12N4O2/c1-19-18-11-8-7-10-12(17-20-16-10)13(11)15-14(18)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
- Stored Murcko scaffold
- n1onc2c1-c3nc([nH]c3CC2)-c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.271 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.603
- 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 · 14742257