Molecule card · MolClass #41131
14735411
14735411: 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
- 14735411Mitochondrial Fusion · compound_name
- MolClass ID
- 41131
- InChIKey
- WEJZLRWOAUUYGQ-UHFFFAOYSA-N
- Canonical SMILES
- CCn1ncc(c1(C))C=2CC(ON=2)C(=O)NCC(C)C
- Standard InChI
- InChI=1S/C14H22N4O2/c1-5-18-10(4)11(8-16-18)12-6-13(20-17-12)14(19)15-7-9(2)3/h8-9,13H,5-7H2,1-4H3,(H,15,19)
- Stored Murcko scaffold
- N=1OCCC1c2cn[nH]c2
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
- 3
- 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
- 68.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.351 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.862
- 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 · 14735411