Molecule card · MolClass #38643
17513535
17513535: 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
- 17513535Mitochondrial Fusion · compound_name
- MolClass ID
- 38643
- InChIKey
- WKRKVTRZEWABEG-OVCLIPMQSA-N
- Canonical SMILES
- CCn2nc(C)c(C=NNC(=O)Cn1nccc1(C))c2(C)
- Standard InChI
- InChI=1S/C14H20N6O/c1-5-19-12(4)13(11(3)18-19)8-15-17-14(21)9-20-10(2)6-7-16-20/h6-8H,5,9H2,1-4H3,(H,17,21)/b15-8+
- Stored Murcko scaffold
- n1cc(C=NN[CH]Cn2nccc2)c[nH]1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.905
- 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 · 17513535