Molecule card · MolClass #47972
24807520
24807520: 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
- 24807520Mitochondrial Fusion · compound_name
- MolClass ID
- 47972
- InChIKey
- BDMKQYJFAWVQOA-UHFFFAOYSA-N
- Canonical SMILES
- N=C1N(C(=O)CS1)c3ncc(Cc2cccc(c2)Cl)s3
- Standard InChI
- InChI=1S/C13H10ClN3OS2/c14-9-3-1-2-8(4-9)5-10-6-16-13(20-10)17-11(18)7-19-12(17)15/h1-4,6,15H,5,7H2
- Stored Murcko scaffold
- n1cc(sc1N2[CH]SC[CH]2)Cc3ccccc3
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.
- 24808155#47973
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 110.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.824 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.981
- 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 · 24807520