Molecule card · MolClass #40251
14722203
14722203: 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
- 14722203Mitochondrial Fusion · compound_name
- MolClass ID
- 40251
- InChIKey
- WXDNOHAIUQFXLO-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c3cnc1cc(C)nn1c3(c2ccccc2)
- Standard InChI
- InChI=1S/C16H15N3O2/c1-3-21-16(20)13-10-17-14-9-11(2)18-19(14)15(13)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
- Stored Murcko scaffold
- n1ccc(-c2ccccc2)n3nccc13
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.108
- 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 · 14722203