Molecule card · MolClass #50902
17415879
17415879: 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
- 17415879Mitochondrial Fusion · compound_name
- MolClass ID
- 50902
- InChIKey
- QXPLTVAEUPLTJT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2c4ccccc4(NS(=O)(=O)c3ccc(C)cc3)
- Standard InChI
- InChI=1S/C26H24N2O4S2/c1-19-11-15-21(16-12-19)33(29,30)27-25-9-5-3-7-23(25)24-8-4-6-10-26(24)28-34(31,32)22-17-13-20(2)14-18-22/h3-18,27-28H,1-2H3
- Stored Murcko scaffold
- S(Nc1ccccc1-c2ccccc2NSc3ccccc3)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
- 6
- 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
- 109.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 492.613 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.222
- 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 · 17415879