Molecule card · MolClass #47603
14739263
14739263: 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
- 14739263Mitochondrial Fusion · compound_name
- MolClass ID
- 47603
- InChIKey
- XAAFFGFVAKFPPK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)c(c(C)c1)S(=O)(=O)NCCn3c(C)cc2ccccc23
- Standard InChI
- InChI=1S/C20H24N2O2S/c1-14-11-15(2)20(16(3)12-14)25(23,24)21-9-10-22-17(4)13-18-7-5-6-8-19(18)22/h5-8,11-13,21H,9-10H2,1-4H3
- Stored Murcko scaffold
- S(NCCn1ccc2ccccc21)c3ccccc3
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
- 3
- 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
- 59.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.484 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.265
- 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 · 14739263