Molecule card · MolClass #36344
24788039
24788039: 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
- 24788039Mitochondrial Fusion · compound_name
- MolClass ID
- 36344
- InChIKey
- OWNGGIDXZQSTBU-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)CNc1nnc(nc1(O))S
- Standard InChI
- InChI=1S/C5H7N5O2S/c6-2(11)1-7-3-4(12)8-5(13)10-9-3/h1H2,(H2,6,11)(H,7,9)(H2,8,10,12,13)
- Stored Murcko scaffold
- n1nccnc1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 152.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 201.208 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.855
- 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 · 24788039