Molecule card · MolClass #44850
17511190
17511190: 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
- 17511190Mitochondrial Fusion · compound_name
- MolClass ID
- 44850
- InChIKey
- GTWMMCJOZVPNAV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)N(NC2=NS(=O)(=O)c3ccccc23)C(=O)c4ccccc4
- Standard InChI
- InChI=1S/C21H17N3O5S2/c1-15-11-13-17(14-12-15)31(28,29)24(21(25)16-7-3-2-4-8-16)22-20-18-9-5-6-10-19(18)30(26,27)23-20/h2-14H,1H3,(H,22,23)
- Stored Murcko scaffold
- n1sc2ccccc2c1NN(Sc3ccccc3)[CH]c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 129.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 455.51 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.167
- 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 · 17511190