Molecule card · MolClass #49600
24791959
24791959: 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
- 24791959Mitochondrial Fusion · compound_name
- MolClass ID
- 49600
- InChIKey
- JCZYFHHWNCHRGK-UHFFFAOYSA-N
- Canonical SMILES
- NS(=O)(=O)c1ccc(cc1)NC(Nc2ccc(c(c2)Cl)Br)=S
- Standard InChI
- InChI=1S/C13H11BrClN3O2S2/c14-11-6-3-9(7-12(11)15)18-13(21)17-8-1-4-10(5-2-8)22(16,19)20/h1-7H,(H2,16,19,20)(H2,17,18,21)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]Nc2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 124.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 420.734 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.136
- 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 · 24791959