Molecule card · MolClass #44159
14723427
14723427: 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
- 14723427Mitochondrial Fusion · compound_name
- MolClass ID
- 44159
- InChIKey
- CQPZQUIJNFLLJF-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)c1cnc2c(cnn2(c1(C)))C(=O)O
- Standard InChI
- InChI=1S/C10H9N3O3/c1-5-7(6(2)14)3-11-9-8(10(15)16)4-12-13(5)9/h3-4H,1-2H3,(H,15,16)
- Stored Murcko scaffold
- n1cccn2nccc12
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 219.197 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.264
- 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 · 14723427