Molecule card · MolClass #42519
24824430
24824430: 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
- 24824430Mitochondrial Fusion · compound_name
- MolClass ID
- 42519
- InChIKey
- LPIPINHRRHQQMY-UHFFFAOYSA-N
- Canonical SMILES
- O=C2c3ccccc3(N=C(c1ccc(cc1)[N+](=O)[O-])N2(O))
- Standard InChI
- InChI=1S/C14H9N3O4/c18-14-11-3-1-2-4-12(11)15-13(16(14)19)9-5-7-10(8-6-9)17(20)21/h1-8,19H
- Stored Murcko scaffold
- n1cc2ccccc2nc1-c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.239 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.427
- 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 · 24824430