Molecule card · MolClass #35890
24836994
24836994: 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
- 24836994Mitochondrial Fusion · compound_name
- MolClass ID
- 35890
- InChIKey
- CMWUBGARMYNOEK-UHFFFAOYSA-N
- Canonical SMILES
- O=S1(=O)(CCN2C(=CSC2(=N1))c4cccc3ccccc34)
- Standard InChI
- InChI=1S/C15H12N2O2S2/c18-21(19)9-8-17-14(10-20-15(17)16-21)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,10H,8-9H2
- Stored Murcko scaffold
- N=1SCCN2C1SC=C2c3cccc4ccccc43
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.054
- 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 · 24836994