Molecule card · MolClass #43874
14743656
14743656: 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
- 14743656Mitochondrial Fusion · compound_name
- MolClass ID
- 43874
- InChIKey
- RYXNMKODMNOKIU-UHFFFAOYSA-N
- Canonical SMILES
- CN(C(=O)COC(=O)c1cnc(O)nc1(O))C2CCCCC2
- Standard InChI
- InChI=1S/C14H19N3O5/c1-17(9-5-3-2-4-6-9)11(18)8-22-13(20)10-7-15-14(21)16-12(10)19/h7,9H,2-6,8H2,1H3,(H2,15,16,19,21)
- Stored Murcko scaffold
- n1cncc(c1)[CH]OC[CH][N]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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 112.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.318 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.88
- 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 · 14743656