Molecule card · MolClass #36041
858090
858090: 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
- 858090Mitochondrial Fusion · compound_name
- MolClass ID
- 36041
- InChIKey
- ODZYQGHJDIBPOB-UHFFFAOYSA-N
- Canonical SMILES
- CC1=NN=C(N(CCC#N)C1(=O))SCCC#N
- Standard InChI
- InChI=1S/C10H11N5OS/c1-8-9(16)15(6-2-4-11)10(14-13-8)17-7-3-5-12/h2-3,6-7H2,1H3
- 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
- 6
- 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
- 117.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 249.294 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.429
- 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 · 858090