Molecule card · MolClass #41186
24834927
24834927: 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
- 24834927Mitochondrial Fusion · compound_name
- MolClass ID
- 41186
- InChIKey
- IWGMSXVUACKWTF-UHFFFAOYSA-N
- Canonical SMILES
- O=[N+]([O-])c1cccc(c1)CSc3nnc2ccccn23
- Standard InChI
- InChI=1S/C13H10N4O2S/c18-17(19)11-5-3-4-10(8-11)9-20-13-15-14-12-6-1-2-7-16(12)13/h1-8H,9H2
- Stored Murcko scaffold
- n1nc2ccccn2c1SCc3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.311 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.864
- 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 · 24834927