Molecule card · MolClass #50204
22402240
22402240: 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
- 22402240Mitochondrial Fusion · compound_name
- MolClass ID
- 50204
- InChIKey
- ZPZZURAYIBANDA-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc4c(c1)nc2ccccc2c4(NNc3c(cncc3Cl)Cl)
- Standard InChI
- InChI=1S/C18H12Cl2N4/c19-13-9-21-10-14(20)18(13)24-23-17-11-5-1-3-7-15(11)22-16-8-4-2-6-12(16)17/h1-10H,(H,21,24)(H,22,23)
- Stored Murcko scaffold
- n1ccc(cc1)NNc2c3ccccc3nc4ccccc42
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.221 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.166
- 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 · 22402240