Molecule card · MolClass #41818
22409404
22409404: 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
- 22409404Mitochondrial Fusion · compound_name
- MolClass ID
- 41818
- InChIKey
- ZLSWWDHRNQBKEZ-JLHYYAGUSA-N
- Canonical SMILES
- O=C(O)c1ccc2c(c1)N=C3C(CCCCN3(C2(=O)))=Cc4cccc(c4Cl)Cl
- Standard InChI
- InChI=1S/C21H16Cl2N2O3/c22-16-6-3-5-12(18(16)23)10-13-4-1-2-9-25-19(13)24-17-11-14(21(27)28)7-8-15(17)20(25)26/h3,5-8,10-11H,1-2,4,9H2,(H,27,28)/b13-10+
- Stored Murcko scaffold
- N=1c2ccccc2[CH]N3C1C(=Cc4ccccc4)CCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 415.27 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.44
- 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 · 22409404