Molecule card · MolClass #50019
22408443
22408443: 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
- 22408443Mitochondrial Fusion · compound_name
- MolClass ID
- 50019
- InChIKey
- CDZJZVDYUILCKW-UHFFFAOYSA-N
- Canonical SMILES
- O=C(OC(c1ccccc1)c3nccc2ccccc23)c4cccc(c4)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C23H16N2O4/c26-23(18-10-6-11-19(15-18)25(27)28)29-22(17-8-2-1-3-9-17)21-20-12-5-4-7-16(20)13-14-24-21/h1-15,22H
- Stored Murcko scaffold
- n1ccc2ccccc2c1C(O[CH]c3ccccc3)c4ccccc4
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 384.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.238
- 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 · 22408443