Molecule card · MolClass #51441
14743446
14743446: 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
- 14743446Mitochondrial Fusion · compound_name
- MolClass ID
- 51441
- InChIKey
- SVEGGFBAMCRNEL-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)Cn4ncc2c4(ncnc2SCc3ccccc3)
- Standard InChI
- InChI=1S/C19H16N4S/c1-3-7-15(8-4-1)12-23-18-17(11-22-23)19(21-14-20-18)24-13-16-9-5-2-6-10-16/h1-11,14H,12-13H2
- Stored Murcko scaffold
- n1cnc2c(cnn2Cc3ccccc3)c1SCc4ccccc4
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.
- 14743574#51446
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.424 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.374
- 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 · 14743446