Molecule card · MolClass #42910
14738670
14738670: 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
- 14738670Mitochondrial Fusion · compound_name
- MolClass ID
- 42910
- InChIKey
- GRRMHMWTHQMSEH-UHFFFAOYSA-N
- Canonical SMILES
- Nc1cc(nn1S(=O)(=O)c3cccc2nsnc23)c4ccc(cc4)Cl
- Standard InChI
- InChI=1S/C15H10ClN5O2S2/c16-10-6-4-9(5-7-10)12-8-14(17)21(18-12)25(22,23)13-3-1-2-11-15(13)20-24-19-11/h1-8H,17H2
- Stored Murcko scaffold
- n1snc2c1cccc2Sn3nc(cc3)-c4ccccc4
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.
- 5309362#9919
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 140.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 391.858 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.844
- 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 · 14738670