Molecule card · MolClass #38902
14745651
14745651: 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
- 14745651Mitochondrial Fusion · compound_name
- MolClass ID
- 38902
- InChIKey
- ZPPGCPKZYMCPGB-UHFFFAOYSA-N
- Canonical SMILES
- Cc3noc(C)c3(CSc2nnc1ccccn12)
- Standard InChI
- InChI=1S/C12H12N4OS/c1-8-10(9(2)17-15-8)7-18-12-14-13-11-5-3-4-6-16(11)12/h3-6H,7H2,1-2H3
- Stored Murcko scaffold
- n1nc2ccccn2c1SCc3cnoc3
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.
No other molecules currently have this stored 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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.316 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.066
- 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 · 14745651