Molecule card · MolClass #35735
22414557
22414557: 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
- 22414557Mitochondrial Fusion · compound_name
- MolClass ID
- 35735
- InChIKey
- LOADXCZWKADLAD-UHFFFAOYSA-N
- Canonical SMILES
- CN1C(=O)c2ncc(O)nc2(NC1=S)
- Standard InChI
- InChI=1S/C7H6N4O2S/c1-11-6(13)4-5(10-7(11)14)9-3(12)2-8-4/h2H,1H3,(H2,9,10,12,14)
- Stored Murcko scaffold
- [N]1[CH]Nc2nccnc2[CH]1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 110.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 210.215 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.15
- 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 · 22414557