Molecule card · MolClass #50265
22401119
22401119: 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
- 22401119Mitochondrial Fusion · compound_name
- MolClass ID
- 50265
- InChIKey
- NNLPRDFLHLZBIJ-UHFFFAOYSA-N
- Canonical SMILES
- CSc2nc1ccc(cc1s2)NS(=O)(=O)c3c(cccc3Cl)Cl
- Standard InChI
- InChI=1S/C14H10Cl2N2O2S3/c1-21-14-17-11-6-5-8(7-12(11)22-14)18-23(19,20)13-9(15)3-2-4-10(13)16/h2-7,18H,1H3
- Stored Murcko scaffold
- n1csc2cc(ccc12)NSc3ccccc3
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
- 4
- 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
- 120.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 405.346 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.243
- 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 · 22401119