Molecule card · MolClass #39155
857822
857822: 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
- 857822Mitochondrial Fusion · compound_name
- MolClass ID
- 39155
- InChIKey
- RJIJIPUHQPCXHM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nnc(nc1(O))SC
- Standard InChI
- InChI=1S/C5H7N3OS/c1-3-4(9)6-5(10-2)8-7-3/h1-2H3,(H,6,8,9)
- 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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 157.195 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.367
- 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 · 857822