Molecule card · MolClass #46152
24785848
24785848: 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
- 24785848Mitochondrial Fusion · compound_name
- MolClass ID
- 46152
- InChIKey
- LUDDDZPTSZOSLL-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)Cc1nc2nc(C)cc(C)n2(n1)
- Standard InChI
- InChI=1S/C11H14N4O2/c1-4-17-10(16)6-9-13-11-12-7(2)5-8(3)15(11)14-9/h5H,4,6H2,1-3H3
- Stored Murcko scaffold
- n1cnn2cccnc12
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 234.255 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.807
- 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 · 24785848