Molecule card · MolClass #39649
22404646
22404646: 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
- 22404646Mitochondrial Fusion · compound_name
- MolClass ID
- 39649
- InChIKey
- FYZSIOKDEBTEQE-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1nsnc1(NCCSC(=N)N)
- Standard InChI
- InChI=1S/C8H13N5O2S2/c1-2-15-7(14)5-6(13-17-12-5)11-3-4-16-8(9)10/h2-4H2,1H3,(H3,9,10)(H,11,13)
- Stored Murcko scaffold
- n1sncc1
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 167.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.354 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.374
- 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 · 22404646