Molecule card · MolClass #47426
14727111
14727111: 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
- 14727111Mitochondrial Fusion · compound_name
- MolClass ID
- 47426
- InChIKey
- IZHMSSRLDCFZEW-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)n1cc(cn1)NC(=O)c2cc(on2)c3ccccc3
- Standard InChI
- InChI=1S/C16H16N4O2/c1-11(2)20-10-13(9-17-20)18-16(21)14-8-15(22-19-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21)
- Stored Murcko scaffold
- n1oc(cc1[CH]Nc2cn[nH]c2)-c3ccccc3
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.
- 14729847#43899
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 72.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.324 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.369
- 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 · 14727111