Molecule card · MolClass #38539
14741495
14741495: 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
- 14741495Mitochondrial Fusion · compound_name
- MolClass ID
- 38539
- InChIKey
- LFKRLVXIDDBPMG-NTEUORMPSA-M
- Canonical SMILES
- N#CC(=N[O-])c1nc(cs1)c2ccccc2
- Standard InChI
- InChI=1S/C11H7N3OS/c12-6-9(14-15)11-13-10(7-16-11)8-4-2-1-3-5-8/h1-5,7,15H/p-1/b14-9+
- Stored Murcko scaffold
- n1cscc1-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.
View all molecules with this scaffold →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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 228.251 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.071
- 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 · 14741495