Molecule card · MolClass #35855
14727788
14727788: 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
- 14727788Mitochondrial Fusion · compound_name
- MolClass ID
- 35855
- InChIKey
- XEKHPLXJQNLFTE-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc4NC(Nc2cccc1ccccc12)Sn4(n3)
- Standard InChI
- InChI=1S/C15H14N4S/c1-10-9-14-17-15(20-19(14)18-10)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-9,15-17H,1H3
- Stored Murcko scaffold
- n1ccc2NC(Sn12)Nc3cccc4ccccc43
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.365 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.996
- 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 · 14727788