Molecule card · MolClass #51830
14727491
14727491: 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
- 14727491Mitochondrial Fusion · compound_name
- MolClass ID
- 51830
- InChIKey
- JUZLMBVWPRSVEE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)c(C)c(c1(C))S(=O)(=O)Nc2ccc3c(c2)nc(C)s3
- Standard InChI
- InChI=1S/C18H20N2O2S2/c1-10-8-11(2)13(4)18(12(10)3)24(21,22)20-15-6-7-17-16(9-15)19-14(5)23-17/h6-9,20H,1-5H3
- Stored Murcko scaffold
- n1csc2ccc(cc12)NSc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.496 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.809
- 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 · 14727491