Molecule card · MolClass #36326
24822108
24822108: 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
- 24822108Mitochondrial Fusion · compound_name
- MolClass ID
- 36326
- InChIKey
- VAEKSNCACFJICM-UHFFFAOYSA-N
- Canonical SMILES
- CC2(C)(CNc1cc(N)ccc1S2)
- Standard InChI
- InChI=1S/C10H14N2S/c1-10(2)6-12-8-5-7(11)3-4-9(8)13-10/h3-5,12H,6,11H2,1-2H3
- Stored Murcko scaffold
- S1c2ccccc2NCC1
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.
- 24819172#30944
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 194.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.01
- 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 · 24822108