Molecule card · MolClass #35655
22404921
22404921: 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
- 22404921Mitochondrial Fusion · compound_name
- MolClass ID
- 35655
- InChIKey
- NVNQGWQGHWEGCZ-UHFFFAOYSA-N
- Canonical SMILES
- CCCCONc1ncnc2nonc12
- Standard InChI
- InChI=1S/C8H11N5O2/c1-2-3-4-14-12-7-6-8(10-5-9-7)13-15-11-6/h5H,2-4H2,1H3,(H,9,10,12,13)
- Stored Murcko scaffold
- n1cnc2nonc2c1
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 209.206 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.455
- 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 · 22404921