Molecule card · MolClass #44387
24792906
24792906: 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
- 24792906Mitochondrial Fusion · compound_name
- MolClass ID
- 44387
- InChIKey
- BISLDCZTMTZXHV-UHFFFAOYSA-N
- Canonical SMILES
- CC=2CC(O)(c1ccccc1)N(N=2)C(=O)CSCc3ccccc3
- Standard InChI
- InChI=1S/C19H20N2O2S/c1-15-12-19(23,17-10-6-3-7-11-17)21(20-15)18(22)14-24-13-16-8-4-2-5-9-16/h2-11,23H,12-14H2,1H3
- Stored Murcko scaffold
- N1=CCC(c2ccccc2)N1[CH]CSCc3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.441 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.568
- 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 · 24792906