Molecule card · MolClass #35819
4261045
4261045: 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
- 4261045Mitochondrial Fusion · compound_name
- MolClass ID
- 35819
- InChIKey
- AOWBXTQBFLCLTK-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)c1cn3N=CC=Cc3(c1N(C)C2(=O))
- Standard InChI
- InChI=1S/C11H10N4O2/c1-13-9-7(10(16)14(2)11(13)17)6-15-8(9)4-3-5-12-15/h3-6H,1-2H3
- Stored Murcko scaffold
- n1cnc2c(c1)cn3ncccc23
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 230.223 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.245
- 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 · 4261045