Molecule card · MolClass #42146
24834084
24834084: 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
- 24834084Mitochondrial Fusion · compound_name
- MolClass ID
- 42146
- InChIKey
- ROZDXHDMPJOOKE-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)c1ccc(O)c(c1)CSC2=NCCS2
- Standard InChI
- InChI=1S/C12H13NO2S2/c1-8(14)9-2-3-11(15)10(6-9)7-17-12-13-4-5-16-12/h2-3,6,15H,4-5,7H2,1H3
- Stored Murcko scaffold
- N1=C(SCc2ccccc2)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.
- 24836945#32811
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.066
- 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 · 24834084