Molecule card · MolClass #40673
24831681
24831681: 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
- 24831681Mitochondrial Fusion · compound_name
- MolClass ID
- 40673
- InChIKey
- JIWPPBBEOLOCIQ-SNAWJCMRSA-N
- Canonical SMILES
- Cc2nn(C1CCS(=O)(=O)C1)c(c2(C=CC(=O)OCC(=O)N(C)C))Cl
- Standard InChI
- InChI=1S/C15H20ClN3O5S/c1-10-12(4-5-14(21)24-8-13(20)18(2)3)15(16)19(17-10)11-6-7-25(22,23)9-11/h4-5,11H,6-9H2,1-3H3/b5-4+
- Stored Murcko scaffold
- n1cccn1C2CSCC2
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.
- ZINC08055826#23850
- 24824455#30872
- 24803715#31712
- 26657624#33744
- 24826287#38431
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 106.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 389.856 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.785
- 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 · 24831681