Molecule card · MolClass #42568
14726105
14726105: 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
- 14726105Mitochondrial Fusion · compound_name
- MolClass ID
- 42568
- InChIKey
- NTDVFWJIZWQNQH-UHFFFAOYSA-N
- Canonical SMILES
- COCCNC(=O)c2cn(Cc1c(F)cccc1Cl)nn2
- Standard InChI
- InChI=1S/C13H14ClFN4O2/c1-21-6-5-16-13(20)12-8-19(18-17-12)7-9-10(14)3-2-4-11(9)15/h2-4,8H,5-7H2,1H3,(H,16,20)
- Stored Murcko scaffold
- n1nn(cc1)Cc2ccccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.728 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.681
- 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 · 14726105