Molecule card · MolClass #35740
24707929
24707929: 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
- 24707929Mitochondrial Fusion · compound_name
- MolClass ID
- 35740
- InChIKey
- PCOOMOQIJHCWEP-UHFFFAOYSA-N
- Canonical SMILES
- COc3ncccc3(c1nnn(n1)c2ccc(nc2)Cl)
- Standard InChI
- InChI=1S/C12H9ClN6O/c1-20-12-9(3-2-6-14-12)11-16-18-19(17-11)8-4-5-10(13)15-7-8/h2-7H,1H3
- Stored Murcko scaffold
- n1nn(nc1-c2cnccc2)-c3cnccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.693 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.694
- 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 · 24707929