Molecule card · MolClass #46966
14729964
14729964: 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
- 14729964Mitochondrial Fusion · compound_name
- MolClass ID
- 46966
- InChIKey
- JOUFDADZNMTYPZ-UHFFFAOYSA-N
- Canonical SMILES
- c1cc2c(cc1Cl)N=C(CCS2)S
- Standard InChI
- InChI=1S/C9H8ClNS2/c10-6-1-2-8-7(5-6)11-9(12)3-4-13-8/h1-2,5H,3-4H2,(H,11,12)
- Stored Murcko scaffold
- N1=CCCSc2ccccc12
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.
- 14719047#29712
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 229.752 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.914
- 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 · 14729964