Molecule card · MolClass #37860
7976083
7976083: 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
- 7976083Mitochondrial Fusion · compound_name
- MolClass ID
- 37860
- InChIKey
- HRVDFCIZZAXAEH-UHFFFAOYSA-N
- Canonical SMILES
- Cc2oc(cc2(CSCc1ccoc1(C(=O)O)))C(=O)O
- Standard InChI
- InChI=1S/C13H12O6S/c1-7-9(4-10(19-7)12(14)15)6-20-5-8-2-3-18-11(8)13(16)17/h2-4H,5-6H2,1H3,(H,14,15)(H,16,17)
- Stored Murcko scaffold
- o1ccc(c1)CSCc2cocc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 126.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.977
- 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 · 7976083