Molecule card · MolClass #39488
14733895
14733895: 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
- 14733895Mitochondrial Fusion · compound_name
- MolClass ID
- 39488
- InChIKey
- JCBBOXRTFPEZBJ-NTEUORMPSA-N
- Canonical SMILES
- Cc1ccc(C)n1N3C(=O)C(=Cc2ccc(cc2)Cl)SC3=S
- Standard InChI
- InChI=1S/C16H13ClN2OS2/c1-10-3-4-11(2)18(10)19-15(20)14(22-16(19)21)9-12-5-7-13(17)8-6-12/h3-9H,1-2H3/b14-9+
- Stored Murcko scaffold
- S1[CH]N([CH]C1=Cc2ccccc2)n3cccc3
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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.873 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.058
- 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 · 14733895