Molecule card · MolClass #51638
14733789
14733789: 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
- 14733789Mitochondrial Fusion · compound_name
- MolClass ID
- 51638
- InChIKey
- JZTLAAXCFCRYMT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc(cs1)c2cccc(c2)NS(=O)(=O)c4cccc3ccccc34
- Standard InChI
- InChI=1S/C20H16N2O2S2/c1-14-21-19(13-25-14)16-8-4-9-17(12-16)22-26(23,24)20-11-5-7-15-6-2-3-10-18(15)20/h2-13,22H,1H3
- Stored Murcko scaffold
- n1cscc1-c2cccc(c2)NSc3cccc4ccccc34
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 380.486 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.676
- 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 · 14733789