Molecule card · MolClass #37975
7972899
7972899: 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
- 7972899Mitochondrial Fusion · compound_name
- MolClass ID
- 37975
- InChIKey
- UDPSJSXSZKJVPM-UHFFFAOYSA-N
- Canonical SMILES
- C1Cc2nc(cn2(C1))SCc3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C13H13ClN2S/c14-11-5-3-10(4-6-11)9-17-13-8-16-7-1-2-12(16)15-13/h3-6,8H,1-2,7,9H2
- Stored Murcko scaffold
- n1c(SCc2ccccc2)cn3c1CCC3
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.
- 7977996#29308
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.775 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.613
- 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 · 7972899