Molecule card · MolClass #51620
14734118
14734118: 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
- 14734118Mitochondrial Fusion · compound_name
- MolClass ID
- 51620
- InChIKey
- DWXBBXCGTJMPFW-UHFFFAOYSA-N
- Canonical SMILES
- CC(c1cccs1)N(Cc2ccco2)C(=O)Nc3ccc(c(c3)Cl)Cl
- Standard InChI
- InChI=1S/C18H16Cl2N2O2S/c1-12(17-5-3-9-25-17)22(11-14-4-2-8-24-14)18(23)21-13-6-7-15(19)16(20)10-13/h2-10,12H,11H2,1H3,(H,21,23)
- Stored Murcko scaffold
- o1cccc1CN([CH]Nc2ccccc2)Cc3sccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 395.304 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.007
- 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 · 14734118