Molecule card · MolClass #42623
22404036
22404036: 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
- 22404036Mitochondrial Fusion · compound_name
- MolClass ID
- 42623
- InChIKey
- HWVJXKOBZHVQIQ-XYOKQWHBSA-N
- Canonical SMILES
- Cc2cc(C=C1NC(=O)NC1(=O))c(C)n2c3ccccn3
- Standard InChI
- InChI=1S/C15H14N4O2/c1-9-7-11(8-12-14(20)18-15(21)17-12)10(2)19(9)13-5-3-4-6-16-13/h3-8H,1-2H3,(H2,17,18,20,21)/b12-8+
- Stored Murcko scaffold
- n1ccccc1-n2ccc(C=C3[CH]N[CH]N3)c2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.04
- 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 · 22404036