Molecule card · MolClass #38826
4261450
4261450: 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
- 4261450Mitochondrial Fusion · compound_name
- MolClass ID
- 38826
- InChIKey
- SNIXCRFYDUITDL-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)CNC(=O)c1cnn2cccnc12
- Standard InChI
- InChI=1S/C11H12N4O3/c1-2-18-9(16)7-13-11(17)8-6-14-15-5-3-4-12-10(8)15/h3-6H,2,7H2,1H3,(H,13,17)
- 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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 248.238 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.012
- 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 · 4261450