Molecule card · MolClass #43621
24826938
24826938: 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
- 24826938Mitochondrial Fusion · compound_name
- MolClass ID
- 43621
- InChIKey
- DCXGULRWRXSWMI-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)C3CC(Nc2nnnn23)c4cccs4
- Standard InChI
- InChI=1S/C14H13N5S/c1-2-5-10(6-3-1)12-9-11(13-7-4-8-20-13)15-14-16-17-18-19(12)14/h1-8,11-12H,9H2,(H,15,16,18)
- Stored Murcko scaffold
- n1nc2NC(c3sccc3)CC(c4ccccc4)n2n1
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.
- 24795724#40300
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.607
- 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 · 24826938