Molecule card · MolClass #40317
24788157
24788157: 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
- 24788157Mitochondrial Fusion · compound_name
- MolClass ID
- 40317
- InChIKey
- MOCCDYJPNJYYNS-UHFFFAOYSA-N
- Canonical SMILES
- O=C2NC(=O)C(=NNc1cc(ccc1(O))[N+](=O)[O-])C(=O)N2
- Standard InChI
- InChI=1S/C10H7N5O6/c16-6-2-1-4(15(20)21)3-5(6)13-14-7-8(17)11-10(19)12-9(7)18/h1-3,13,16H,(H2,11,12,17,18,19)
- Stored Murcko scaffold
- N(Nc1ccccc1)=C2[CH]N[CH]N[CH]2
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
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 163.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 293.193 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.714
- 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 · 24788157