Molecule card · MolClass #47239
14718712
14718712: 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
- 14718712Mitochondrial Fusion · compound_name
- MolClass ID
- 47239
- InChIKey
- CWDKUMOHKMQXFH-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C2=NN(c1ccccc1)C(CC2(=O))c3ccccc3
- Standard InChI
- InChI=1S/C19H18N2O3/c1-2-24-19(23)18-17(22)13-16(14-9-5-3-6-10-14)21(20-18)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
- Stored Murcko scaffold
- N1=C[CH]CC(c2ccccc2)N1c3ccccc3
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.
- 14719130#48748
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.622
- 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 · 14718712