Molecule card · MolClass #44354
14738146
14738146: 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
- 14738146Mitochondrial Fusion · compound_name
- MolClass ID
- 44354
- InChIKey
- GUGDXZPKLKZBOY-UHFFFAOYSA-N
- Canonical SMILES
- CN3C(=O)c1ccccc1C(C(=O)O)C3(c2cccc(c2)Cl)
- Standard InChI
- InChI=1S/C17H14ClNO3/c1-19-15(10-5-4-6-11(18)9-10)14(17(21)22)12-7-2-3-8-13(12)16(19)20/h2-9,14-15H,1H3,(H,21,22)
- Stored Murcko scaffold
- [N]1[CH]c2ccccc2CC1c3ccccc3
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.
- 14738145#35272
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.752 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.012
- 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 · 14738146