Molecule card · MolClass #38435
4241171
4241171: 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
- 4241171Mitochondrial Fusion · compound_name
- MolClass ID
- 38435
- InChIKey
- ZKGHEMQZBYHNKJ-IZZDOVSWSA-N
- Canonical SMILES
- CSc1ccc(cc1)C=Nn2nnnc2(N)
- Standard InChI
- InChI=1S/C9H10N6S/c1-16-8-4-2-7(3-5-8)6-11-15-9(10)12-13-14-15/h2-6H,1H3,(H2,10,12,14)/b11-6+
- Stored Murcko scaffold
- n1ncn(n1)N=Cc2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 234.282 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.142
- 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 · 4241171