Molecule card · MolClass #43931
4249851
4249851: 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
- 4249851Mitochondrial Fusion · compound_name
- MolClass ID
- 43931
- InChIKey
- JLQFLBFJAQCRIZ-UHFFFAOYSA-N
- Canonical SMILES
- CCNC(=O)C1=C(N)N(CC)C(=S)S1
- Standard InChI
- InChI=1S/C8H13N3OS2/c1-3-10-7(12)5-6(9)11(4-2)8(13)14-5/h3-4,9H2,1-2H3,(H,10,12)
- Stored Murcko scaffold
- n1cscc1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 231.341 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.373
- 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 · 4249851