Molecule card · MolClass #44525
22416917
22416917: 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
- 22416917Mitochondrial Fusion · compound_name
- MolClass ID
- 44525
- InChIKey
- ZYELCRSYGFBHOA-IZZDOVSWSA-N
- Canonical SMILES
- CCOC(=O)c1c(C)nc(N=CN(C)C)s1
- Standard InChI
- InChI=1S/C10H15N3O2S/c1-5-15-9(14)8-7(2)12-10(16-8)11-6-13(3)4/h6H,5H2,1-4H3/b11-6+
- Stored Murcko scaffold
- n1cscc1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 241.311 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.066
- 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 · 22416917