Molecule card · MolClass #42702
7976647
7976647: 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
- 7976647Mitochondrial Fusion · compound_name
- MolClass ID
- 42702
- InChIKey
- CPQWYQYYKHMQNJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CC3=C(O)C(=O)N(c1ccccc1)C3(c2ccccc2)
- Standard InChI
- InChI=1S/C18H15NO4/c20-15(21)11-14-16(12-7-3-1-4-8-12)19(18(23)17(14)22)13-9-5-2-6-10-13/h1-10,16,22H,11H2,(H,20,21)
- 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
- 309.317 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.46
- 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 · 7976647