Molecule card · MolClass #38543
24783152
24783152: 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
- 24783152Mitochondrial Fusion · compound_name
- MolClass ID
- 38543
- InChIKey
- HBYRGJCTMUDPGJ-UHFFFAOYSA-N
- Canonical SMILES
- CCC2(CC)(N=C(c1ccccc1)C(N2)=S)
- Standard InChI
- InChI=1S/C13H16N2S/c1-3-13(4-2)14-11(12(16)15-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,15,16)
- Stored Murcko scaffold
- N1=C([CH]NC1)c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 232.346 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.041
- 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 · 24783152