Molecule card · MolClass #51703
14730764
14730764: 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
- 14730764Mitochondrial Fusion · compound_name
- MolClass ID
- 51703
- InChIKey
- AGAYXIREIJZWSY-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc(cc(NCc1ccc(cc1Cl)Cl)n2)CS(=O)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C19H16Cl3N3OS/c1-12-24-16(11-27(26)17-6-4-14(20)5-7-17)9-19(25-12)23-10-13-2-3-15(21)8-18(13)22/h2-9H,10-11H2,1H3,(H,23,24,25)
- Stored Murcko scaffold
- n1cnc(cc1NCc2ccccc2)CSc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 440.775 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.241
- 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 · 14730764