Molecule card · MolClass #44485
24826219
24826219: 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
- 24826219Mitochondrial Fusion · compound_name
- MolClass ID
- 44485
- InChIKey
- WXYTUIGXKWRZEZ-CXUHLZMHSA-N
- Canonical SMILES
- COc1ccc(cc1)c2nn(CCC#N)cc2(C=NO)
- Standard InChI
- InChI=1S/C14H14N4O2/c1-20-13-5-3-11(4-6-13)14-12(9-16-19)10-18(17-14)8-2-7-15/h3-6,9-10,19H,2,8H2,1H3/b16-9+
- Stored Murcko scaffold
- n1[nH]ccc1-c2ccccc2
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
- 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
- 83.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.287 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.878
- 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 · 24826219