Molecule card · MolClass #42295
4241579
4241579: 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
- 4241579Mitochondrial Fusion · compound_name
- MolClass ID
- 42295
- InChIKey
- AZPJXZMRNIYUPF-OQLLNIDSSA-N
- Canonical SMILES
- c1ncn(n1)N=Cc2ccc(cc2)N3CCOCC3
- Standard InChI
- InChI=1S/C13H15N5O/c1-3-13(17-5-7-19-8-6-17)4-2-12(1)9-15-18-11-14-10-16-18/h1-4,9-11H,5-8H2/b15-9+
- Stored Murcko scaffold
- n1cnn(N=Cc2ccc(cc2)N3CCOCC3)c1
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 257.292 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.184
- 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 · 4241579