Molecule card · MolClass #48748
14719130
14719130: 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
- 14719130Mitochondrial Fusion · compound_name
- MolClass ID
- 48748
- InChIKey
- LTKYIJYADCHQHG-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C2=NN(c1ccc(cc1)Cl)C(CC2(=O))c3ccccc3
- Standard InChI
- InChI=1S/C19H17ClN2O3/c1-2-25-19(24)18-17(23)12-16(13-6-4-3-5-7-13)22(21-18)15-10-8-14(20)9-11-15/h3-11,16H,2,12H2,1H3
- 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.
- 14718712#47239
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
- 356.804 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.244
- 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 · 14719130