Molecule card · MolClass #48222
17409641
17409641: 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
- 17409641Mitochondrial Fusion · compound_name
- MolClass ID
- 48222
- InChIKey
- QWJKIQCMGUZDAH-NVNXTCNLSA-N
- Canonical SMILES
- CC(=NOC(=O)c1cccc(c1)Cl)c2nccs2
- Standard InChI
- InChI=1S/C12H9ClN2O2S/c1-8(11-14-5-6-18-11)15-17-12(16)9-3-2-4-10(13)7-9/h2-7H,1H3/b15-8-
- Stored Murcko scaffold
- N(O[CH]c1ccccc1)=Cc2nccs2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.732 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.151
- 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 · 17409641