Molecule card · MolClass #48854
22401500
22401500: 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
- 22401500Mitochondrial Fusion · compound_name
- MolClass ID
- 48854
- InChIKey
- LZPLILBDKVXATC-UHFFFAOYSA-N
- Canonical SMILES
- O=C(COc1ccc(cc1Cl)Cl)NN2C(=O)c3cccnc3(NC2=S)
- Standard InChI
- InChI=1S/C15H10Cl2N4O3S/c16-8-3-4-11(10(17)6-8)24-7-12(22)20-21-14(23)9-2-1-5-18-13(9)19-15(21)25/h1-6H,7H2,(H,20,22)(H,18,19,25)
- Stored Murcko scaffold
- n1cccc2[CH]N([CH]Nc12)N[CH]COc3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 397.237 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.693
- 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 · 22401500