Molecule card · MolClass #51427
14743626
14743626: 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
- 14743626Mitochondrial Fusion · compound_name
- MolClass ID
- 51427
- InChIKey
- CLMHKUIJZLOVDX-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc(N)sc2(N=Nc1ccc(cc1)Br)
- Standard InChI
- InChI=1S/C10H9BrN4S/c1-6-9(16-10(12)13-6)15-14-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,13)
- Stored Murcko scaffold
- N(=Nc1ccccc1)c2scnc2
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.
- 24779908#28815
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.175 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.238
- 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 · 14743626