Molecule card · MolClass #49309
24813114
24813114: 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
- 24813114Mitochondrial Fusion · compound_name
- MolClass ID
- 49309
- InChIKey
- MIHVQBVMMNMKAK-VZUCSPMQSA-N
- Canonical SMILES
- Cc2ccsc2(C=NNc1nc(O)nnc1(C))
- Standard InChI
- InChI=1S/C10H11N5OS/c1-6-3-4-17-8(6)5-11-14-9-7(2)13-15-10(16)12-9/h3-5H,1-2H3,(H2,12,14,15,16)/b11-5+
- Stored Murcko scaffold
- n1ncc(nc1)NN=Cc2sccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 249.294 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.826
- 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 · 24813114