Molecule card · MolClass #42089
24837246
24837246: 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
- 24837246Mitochondrial Fusion · compound_name
- MolClass ID
- 42089
- InChIKey
- AQSVGJPEGVGKBF-UHFFFAOYSA-N
- Canonical SMILES
- NNC(=O)c1ccc2C(=O)NNS(=O)(=O)c2(c1)
- Standard InChI
- InChI=1S/C8H8N4O4S/c9-10-7(13)4-1-2-5-6(3-4)17(15,16)12-11-8(5)14/h1-3,12H,9H2,(H,10,13)(H,11,14)
- Stored Murcko scaffold
- S1NN[CH]c2ccccc12
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 138.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 256.24 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.351
- 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 · 24837246