Molecule card · MolClass #38003
843390
843390: 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
- 843390Mitochondrial Fusion · compound_name
- MolClass ID
- 38003
- InChIKey
- UXIVMKYPOVSJEH-UHFFFAOYSA-N
- Canonical SMILES
- O=C3Oc1ccccc1N3(CSC2=NCCS2)
- Standard InChI
- InChI=1S/C11H10N2O2S2/c14-11-13(7-17-10-12-5-6-16-10)8-3-1-2-4-9(8)15-11/h1-4H,5-7H2
- Stored Murcko scaffold
- N1=C(SCN2[CH]Oc3ccccc32)SCC1
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.
- 842247#26420
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.342 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.65
- 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 · 843390