Molecule card · MolClass #41110
24787624
24787624: 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
- 24787624Mitochondrial Fusion · compound_name
- MolClass ID
- 41110
- InChIKey
- NHMBUKSMTNSDQF-UHFFFAOYSA-N
- Canonical SMILES
- CNS(=O)(=O)c1cc2cccc3C(=O)NC(=O)c(c1)c23
- Standard InChI
- InChI=1S/C13H10N2O4S/c1-14-20(18,19)8-5-7-3-2-4-9-11(7)10(6-8)13(17)15-12(9)16/h2-6,14H,1H3,(H,15,16,17)
- Stored Murcko scaffold
- c1cc2cccc3[CH]N[CH]c(c1)c23
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.
- LOPAC 00023#44
- 24816924#32666
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.296 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.107
- 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 · 24787624