Molecule card · MolClass #41866
865867
865867: 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
- 865867Mitochondrial Fusion · compound_name
- MolClass ID
- 41866
- InChIKey
- CBNXOIJNJYUNPT-UHFFFAOYSA-N
- Canonical SMILES
- COCc1cc(O)n2nc(nc2(n1))SC
- Standard InChI
- InChI=1S/C8H10N4O2S/c1-14-4-5-3-6(13)12-7(9-5)10-8(11-12)15-2/h3,13H,4H2,1-2H3
- Stored Murcko scaffold
- n1cnn2cccnc12
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 226.257 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.867
- 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 · 865867