Molecule card · MolClass #51073
17410235
17410235: 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
- 17410235Mitochondrial Fusion · compound_name
- MolClass ID
- 51073
- InChIKey
- DPNSRHNESSLCEZ-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(Nc1ccc(cc1)n2cccc2)c3ccc(cc3Cl)Cl
- Standard InChI
- InChI=1S/C16H12Cl2N2O2S/c17-12-3-8-16(15(18)11-12)23(21,22)19-13-4-6-14(7-5-13)20-9-1-2-10-20/h1-11,19H
- Stored Murcko scaffold
- S(Nc1ccc(cc1)-n2cccc2)c3ccccc3
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.
- CD 07652#52825
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 367.251 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.626
- 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 · 17410235