Molecule card · MolClass #43372
14743355
14743355: 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
- 14743355Mitochondrial Fusion · compound_name
- MolClass ID
- 43372
- InChIKey
- NIDKBNQBLXAVOC-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CC3=C(O)C(=O)N(c1ccccc1)C3(c2ccc(cc2)Cl)
- Standard InChI
- InChI=1S/C18H14ClNO4/c19-12-8-6-11(7-9-12)16-14(10-15(21)22)17(23)18(24)20(16)13-4-2-1-3-5-13/h1-9,16,23H,10H2,(H,21,22)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C=CC2c3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.762 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.082
- 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 · 14743355