Molecule card · MolClass #51032
17410929
17410929: 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
- 17410929Mitochondrial Fusion · compound_name
- MolClass ID
- 51032
- InChIKey
- HEGDVHBPSHHNFL-UHFFFAOYSA-N
- Canonical SMILES
- Cn3nc(c2cc(C(=O)Nc1ccc(cc1)Cl)sc23)C(F)(F)F
- Standard InChI
- InChI=1S/C14H9ClF3N3OS/c1-21-13-9(11(20-21)14(16,17)18)6-10(23-13)12(22)19-8-4-2-7(15)3-5-8/h2-6H,1H3,(H,19,22)
- Stored Murcko scaffold
- n1cc2cc(sc2[nH]1)[CH]Nc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.756 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.398
- 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 · 17410929