Molecule card · MolClass #44363
14734259
14734259: 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
- 14734259Mitochondrial Fusion · compound_name
- MolClass ID
- 44363
- InChIKey
- LOEJVFKTIRGMJK-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)NC(=O)c2nnn(Cc1ccccc1)c2(NC(C)=O)
- Standard InChI
- InChI=1S/C14H15N5O3/c1-9(20)15-13-12(14(22)16-10(2)21)17-18-19(13)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,20)(H,16,21,22)
- 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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.301 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.713
- 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 · 14734259