Molecule card · MolClass #37506
22405335
22405335: 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
- 22405335Mitochondrial Fusion · compound_name
- MolClass ID
- 37506
- InChIKey
- UVMANZGFIFOIDD-UHFFFAOYSA-N
- Canonical SMILES
- CC2=CN1c3ncccc3(C(=O)N=C1S2)
- Standard InChI
- InChI=1S/C10H7N3OS/c1-6-5-13-8-7(3-2-4-11-8)9(14)12-10(13)15-6/h2-5H,1H3
- Stored Murcko scaffold
- n1cccc2[CH]N=C3SC=CN3c12
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 217.249 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.045
- 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 · 22405335