Molecule card · MolClass #39152
856089
856089: 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
- 856089Mitochondrial Fusion · compound_name
- MolClass ID
- 39152
- InChIKey
- MKUGOLLPGZDMOE-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc2c(ccc1c2(no[n+]1([O-])))nn3
- Standard InChI
- InChI=1S/C9H6N4O2/c1-5-4-6-7(11-10-5)2-3-8-9(6)12-15-13(8)14/h2-4H,1H3
- Stored Murcko scaffold
- n1nc2ccc3[nH+]onc3c2cc1
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
- 2
- 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
- 78.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 202.17 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.362
- 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 · 856089