Molecule card · MolClass #37359
7977386
7977386: 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
- 7977386Mitochondrial Fusion · compound_name
- MolClass ID
- 37359
- InChIKey
- SWKVXATYIDRWNL-SSZFMOIBSA-N
- Canonical SMILES
- CC(=O)N=C2N(C1CS(=O)(=O)CC1S2)c3c(cccc3Cl)Cl
- Standard InChI
- InChI=1S/C13H12Cl2N2O3S2/c1-7(18)16-13-17(12-8(14)3-2-4-9(12)15)10-5-22(19,20)6-11(10)21-13/h2-4,10-11H,5-6H2,1H3/b16-13-
- Stored Murcko scaffold
- S1[CH]N(c2ccccc2)C3CSCC13
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
- 5
- 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
- 100.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 379.285 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.475
- 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 · 7977386