Molecule card · MolClass #36309
24782142
24782142: 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
- 24782142Mitochondrial Fusion · compound_name
- MolClass ID
- 36309
- InChIKey
- OJSPXOBVMMMYRO-UHFFFAOYSA-N
- Canonical SMILES
- OCCN2c1ccccc1N3N=C(CCC(=O)O)C(=O)N=C23
- Standard InChI
- InChI=1S/C14H14N4O4/c19-8-7-17-10-3-1-2-4-11(10)18-14(17)15-13(22)9(16-18)5-6-12(20)21/h1-4,19H,5-8H2,(H,20,21)
- Stored Murcko scaffold
- N=1[CH]C=NN2C1Nc3ccccc32
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.286 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.886
- 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 · 24782142