Molecule card · MolClass #38899
24797249
24797249: 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
- 24797249Mitochondrial Fusion · compound_name
- MolClass ID
- 38899
- InChIKey
- WVLPOLIDXIHVBY-SSZFMOIBSA-N
- Canonical SMILES
- C1C2CC3CC1CC(C2)(C3)N=C4OC(CCl)CS4
- Standard InChI
- InChI=1S/C14H20ClNOS/c15-7-12-8-18-13(17-12)16-14-4-9-1-10(5-14)3-11(2-9)6-14/h9-12H,1-8H2/b16-13-
- Stored Murcko scaffold
- N(=C1OCCS1)C23CC4CC(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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.834 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.129
- 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 · 24797249