Molecule card · MolClass #40246
846381
846381: 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
- 846381Mitochondrial Fusion · compound_name
- MolClass ID
- 40246
- InChIKey
- QULZRAJLUWHOKV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(C)sc2ncn3ncnc3(c12)
- Standard InChI
- InChI=1S/C9H8N4S/c1-5-6(2)14-9-7(5)8-10-3-12-13(8)4-11-9/h3-4H,1-2H3
- Stored Murcko scaffold
- n1cnn2cnc3sccc3c12
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 204.253 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.578
- 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 · 846381