Molecule card · MolClass #51191
17402086
17402086: 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
- 17402086Mitochondrial Fusion · compound_name
- MolClass ID
- 51191
- InChIKey
- ZYQOGMCVPTWEDR-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)C(NS(=O)(=O)c2cccc1nsnc12)C(=O)Nc4nc3ccc(cc3s4)Cl
- Standard InChI
- InChI=1S/C18H16ClN5O3S3/c1-9(2)15(17(25)21-18-20-11-7-6-10(19)8-13(11)28-18)24-30(26,27)14-5-3-4-12-16(14)23-29-22-12/h3-9,15,24H,1-2H3,(H,20,21,25)
- Stored Murcko scaffold
- n1snc2c1cccc2SNC[CH]Nc3nc4ccccc4s3
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 178.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 482.003 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.508
- 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 · 17402086