Molecule card · MolClass #51291
17387225
17387225: 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
- 17387225Mitochondrial Fusion · compound_name
- MolClass ID
- 51291
- InChIKey
- WSAXPNALGWKOLA-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCSc1ccc(cc1)Cl)NC34(CC2CC(CC(C2)C3)C4)
- Standard InChI
- InChI=1S/C19H24ClNOS/c20-16-1-3-17(4-2-16)23-6-5-18(22)21-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22)
- Stored Murcko scaffold
- S(c1ccccc1)CC[CH]NC23CC4CC(CC(C4)C2)C3
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
- 2
- 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
- 54.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.92 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.529
- 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 · 17387225