Molecule card · MolClass #51446
14743574
14743574: 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
- 14743574Mitochondrial Fusion · compound_name
- MolClass ID
- 51446
- InChIKey
- NFAGLFGAYQPTCL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CSc4ncnc3c4(cnn3(Cc2ccccc2))
- Standard InChI
- InChI=1S/C20H18N4S/c1-15-7-9-17(10-8-15)13-25-20-18-11-23-24(19(18)21-14-22-20)12-16-5-3-2-4-6-16/h2-11,14H,12-13H2,1H3
- 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.
- 14743446#51441
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
- 346.451 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.811
- 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 · 14743574