Molecule card · MolClass #45852
24786379
24786379: 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
- 24786379Mitochondrial Fusion · compound_name
- MolClass ID
- 45852
- InChIKey
- WONZSINVJYPFAA-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CCC(=O)NNc2ncnc1ccccc12
- Standard InChI
- InChI=1S/C12H12N4O3/c17-10(5-6-11(18)19)15-16-12-8-3-1-2-4-9(8)13-7-14-12/h1-4,7H,5-6H2,(H,15,17)(H,18,19)(H,13,14,16)
- Stored Murcko scaffold
- n1cnc2ccccc2c1
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 104.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.249 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.812
- 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 · 24786379