Molecule card · MolClass #48662
7973352
7973352: 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
- 7973352Mitochondrial Fusion · compound_name
- MolClass ID
- 48662
- InChIKey
- CVEDHYGTBVIGBH-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CC(C(=O)O)n2nc(cc2(c1ccccc1))c3ccccc3
- Standard InChI
- InChI=1S/C19H16N2O4/c22-18(23)12-17(19(24)25)21-16(14-9-5-2-6-10-14)11-15(20-21)13-7-3-1-4-8-13/h1-11,17H,12H2,(H,22,23)(H,24,25)
- Stored Murcko scaffold
- n1[nH]c(cc1-c2ccccc2)-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.
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.342 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.433
- 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 · 7973352