Molecule card · MolClass #36094
844935
844935: 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
- 844935Mitochondrial Fusion · compound_name
- MolClass ID
- 36094
- InChIKey
- KUFDNPNZOIOCNC-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1nnn(c1(CNC(C)C))c2nonc2(N)
- Standard InChI
- InChI=1S/C11H17N7O3/c1-4-20-11(19)8-7(5-13-6(2)3)18(17-14-8)10-9(12)15-21-16-10/h6,13H,4-5H2,1-3H3,(H2,12,15)
- Stored Murcko scaffold
- n1nn(cc1)-c2nonc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 133.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.118
- 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 · 844935