Molecule card · MolClass #43970
24816280
24816280: 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
- 24816280Mitochondrial Fusion · compound_name
- MolClass ID
- 43970
- InChIKey
- OSMQAIIOCPZZRP-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)n4nc1CS(=O)(=O)Cc1c4(NC(=O)Cc3cccc2ccccc23)
- Standard InChI
- InChI=1S/C21H23N3O3S/c1-21(2,3)24-20(17-12-28(26,27)13-18(17)23-24)22-19(25)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,11-13H2,1-3H3,(H,22,25)
- Stored Murcko scaffold
- n1[nH]c(N[CH]Cc2cccc3ccccc32)c4c1CSC4
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 89.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 397.493 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.284
- 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 · 24816280