Molecule card · MolClass #38823
24821640
24821640: 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
- 24821640Mitochondrial Fusion · compound_name
- MolClass ID
- 38823
- InChIKey
- KCSQDLWGFXTURN-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc1cccn1c2nccc(n2)c3cccs3
- Standard InChI
- InChI=1S/C13H8N4S/c14-9-10-3-1-7-17(10)13-15-6-5-11(16-13)12-4-2-8-18-12/h1-8H
- Stored Murcko scaffold
- n1ccc(nc1-n2cccc2)-c3sccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 252.296 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.951
- 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 · 24821640