Molecule card · MolClass #46477
14735346
14735346: 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
- 14735346Mitochondrial Fusion · compound_name
- MolClass ID
- 46477
- InChIKey
- OSJWKPHEUAQQKR-ZRDIBKRKSA-N
- Canonical SMILES
- CN2c1ccccc1SC2(=NC(=O)CCl)
- Standard InChI
- InChI=1S/C10H9ClN2OS/c1-13-7-4-2-3-5-8(7)15-10(13)12-9(14)6-11/h2-5H,6H2,1H3/b12-10+
- Stored Murcko scaffold
- S1[CH]Nc2ccccc12
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.
View all molecules with this scaffold →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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 240.711 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.723
- 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 · 14735346