Molecule card · MolClass #49772
24783121
24783121: 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
- 24783121Mitochondrial Fusion · compound_name
- MolClass ID
- 49772
- InChIKey
- NLNLXFLENNSLOA-LTGZKZEYSA-N
- Canonical SMILES
- Cc3ccccc3(N=C2C(OC(=O)c1ccccc1(C))OC(O)=C2Cl)
- Standard InChI
- InChI=1S/C19H16ClNO4/c1-11-7-3-5-9-13(11)17(22)24-19-16(15(20)18(23)25-19)21-14-10-6-4-8-12(14)2/h3-10,19,23H,1-2H3/b21-16+
- Stored Murcko scaffold
- N(c1ccccc1)=C2C=COC2O[CH]c3ccccc3
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.
- 24783120#49773
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.788 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.892
- 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 · 24783121