Molecule card · MolClass #37624
24824216
24824216: 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
- 24824216Mitochondrial Fusion · compound_name
- MolClass ID
- 37624
- InChIKey
- MZIVBRMDFOBVDK-UHFFFAOYSA-N
- Canonical SMILES
- NN1C(=O)C=NN=C1SCC(=O)Nc2nccs2
- Standard InChI
- InChI=1S/C8H8N6O2S2/c9-14-6(16)3-11-13-8(14)18-4-5(15)12-7-10-1-2-17-7/h1-3H,4,9H2,(H,10,12,15)
- Stored Murcko scaffold
- n1nc(ncc1)SC[CH]Nc2nccs2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 166.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 284.321 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.761
- 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 · 24824216