Molecule card · MolClass #48153
860143
860143: 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
- 860143Mitochondrial Fusion · compound_name
- MolClass ID
- 48153
- InChIKey
- YBZOERGIPNAFGS-UHFFFAOYSA-N
- Canonical SMILES
- N#CC3=C(N=C1CCCC(O)=C1C3(c2ccco2))SCC(=O)c4ccc(cc4)Cl
- Standard InChI
- InChI=1S/C22H17ClN2O3S/c23-14-8-6-13(7-9-14)18(27)12-29-22-15(11-24)20(19-5-2-10-28-19)21-16(25-22)3-1-4-17(21)26/h2,5-10,20,26H,1,3-4,12H2
- Stored Murcko scaffold
- N=1C(SC[CH]c2ccccc2)=CC(c3occc3)C4=CCCCC14
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.
- 860362#48088
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 424.902 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.686
- 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 · 860143