Molecule card · MolClass #37251
24819012
24819012: 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
- 24819012Mitochondrial Fusion · compound_name
- MolClass ID
- 37251
- InChIKey
- JXSPUKOREKGTFZ-QINSGFPZSA-N
- Canonical SMILES
- O=S3(=O)(CCC(=Nc1ccc(cc1)Cl)c2ccsc23)
- Standard InChI
- InChI=1S/C13H10ClNO2S2/c14-9-1-3-10(4-2-9)15-12-6-8-19(16,17)13-11(12)5-7-18-13/h1-5,7H,6,8H2/b15-12-
- Stored Murcko scaffold
- N(c1ccccc1)=C2c3ccsc3SCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.81 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.468
- 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 · 24819012