Molecule card · MolClass #49344
24811339
24811339: 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
- 24811339Mitochondrial Fusion · compound_name
- MolClass ID
- 49344
- InChIKey
- LJAVWPXZZIDCAS-FLIBITNWSA-N
- Canonical SMILES
- c1cc(ccc1N=C2C(=NSS2)Cl)Br
- Standard InChI
- InChI=1S/C8H4BrClN2S2/c9-5-1-3-6(4-2-5)11-8-7(10)12-14-13-8/h1-4H/b11-8-
- Stored Murcko scaffold
- N=1SSC(=Nc2ccccc2)C1
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.
- 4244856#27923
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.62 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.337
- 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 · 24811339