Molecule card · MolClass #49969
22410394
22410394: 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
- 22410394Mitochondrial Fusion · compound_name
- MolClass ID
- 49969
- InChIKey
- NZZRCEWBJLKSKF-LPYMAVHISA-N
- Canonical SMILES
- Oc1ccccc1C(=O)NN=Cc3cn(nc3(c2ccccc2))c4cccs4
- Standard InChI
- InChI=1S/C21H16N4O2S/c26-18-10-5-4-9-17(18)21(27)23-22-13-16-14-25(19-11-6-12-28-19)24-20(16)15-7-2-1-3-8-15/h1-14,26H,(H,23,27)/b22-13+
- Stored Murcko scaffold
- N(=Cc1cn(nc1-c2ccccc2)-c3sccc3)N[CH]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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 388.444 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.792
- 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 · 22410394