Molecule card · MolClass #36196
24814512
24814512: 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
- 24814512Mitochondrial Fusion · compound_name
- MolClass ID
- 36196
- InChIKey
- JPYGNUTTXKHNGF-UHFFFAOYSA-N
- Canonical SMILES
- CC=2CSC3C(NC(=O)c1nn(C)c(C)c1Cl)C(=O)N3(C=2(C(=O)O))
- Standard InChI
- InChI=1S/C14H15ClN4O4S/c1-5-4-24-13-9(12(21)19(13)10(5)14(22)23)16-11(20)8-7(15)6(2)18(3)17-8/h9,13H,4H2,1-3H3,(H,16,20)(H,22,23)
- Stored Murcko scaffold
- n1[nH]ccc1[CH]NC2[CH]N3C=CCSC32
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 129.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.813 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.526
- 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 · 24814512