Molecule card · MolClass #50778
17433846
17433846: 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
- 17433846Mitochondrial Fusion · compound_name
- MolClass ID
- 50778
- InChIKey
- UUHNXOUEZWLGNL-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc2ccccc2(Oc1ccccc1))c3cc(ccc3Cl)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C19H13ClN2O4/c20-16-11-10-13(22(24)25)12-15(16)19(23)21-17-8-4-5-9-18(17)26-14-6-2-1-3-7-14/h1-12H,(H,21,23)
- Stored Murcko scaffold
- O(c1ccccc1)c2ccccc2N[CH]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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.771 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.988
- 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 · 17433846