Molecule card · MolClass #51531
14738955
14738955: 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
- 14738955Mitochondrial Fusion · compound_name
- MolClass ID
- 51531
- InChIKey
- LJTIRSDXRVMVIS-UHFFFAOYSA-N
- Canonical SMILES
- CCc2ccc(CCC(=O)Nc1ccccc1(C(=O)O))o2
- Standard InChI
- InChI=1S/C16H17NO4/c1-2-11-7-8-12(21-11)9-10-15(18)17-14-6-4-3-5-13(14)16(19)20/h3-8H,2,9-10H2,1H3,(H,17,18)(H,19,20)
- Stored Murcko scaffold
- o1cccc1CC[CH]Nc2ccccc2
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.
- 1914513#12598
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.311 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.204
- 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 · 14738955