Molecule card · MolClass #49154
24821502
24821502: 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
- 24821502Mitochondrial Fusion · compound_name
- MolClass ID
- 49154
- InChIKey
- HOVAMNOLUNEIKI-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)n2c(CSCc1ccc(cc1Cl)Cl)nnc2S
- Standard InChI
- InChI=1S/C13H15Cl2N3S2/c1-8(2)18-12(16-17-13(18)19)7-20-6-9-3-4-10(14)5-11(9)15/h3-5,8H,6-7H2,1-2H3,(H,17,19)
- Stored Murcko scaffold
- n1nc([nH]c1)CSCc2ccccc2
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.
- 1908979#15993
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.317 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.057
- 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 · 24821502