Molecule card · MolClass #37986
24783458
24783458: 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
- 24783458Mitochondrial Fusion · compound_name
- MolClass ID
- 37986
- InChIKey
- MLWGUNGWYSXKRW-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)c1nc(C)nc2c1SC(N2(C))=S
- Standard InChI
- InChI=1S/C11H16N4S2/c1-5-15(6-2)10-8-9(12-7(3)13-10)14(4)11(16)17-8/h5-6H2,1-4H3
- Stored Murcko scaffold
- n1cnc2ncsc2c1
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.
- 26731333#26137
- 7965052#30592
- AZM178#92191
- Nc1nc(N)c2sc(NCC=C)nc2n1#151522
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.404 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.952
- 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 · 24783458