Molecule card · MolClass #49339
24811438
24811438: 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
- 24811438Mitochondrial Fusion · compound_name
- MolClass ID
- 49339
- InChIKey
- FVFSYBBDHHGEMH-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)C1OC(OCC1(C)(C))c2cccc(c2)NC(=O)c3cccs3
- Standard InChI
- InChI=1S/C20H25NO3S/c1-13(2)17-20(3,4)12-23-19(24-17)14-7-5-8-15(11-14)21-18(22)16-9-6-10-25-16/h5-11,13,17,19H,12H2,1-4H3,(H,21,22)
- Stored Murcko scaffold
- O1CCCOC1c2cccc(c2)N[CH]c3sccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.484 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.768
- 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 · 24811438