Molecule card · MolClass #42469
17409869
17409869: 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
- 17409869Mitochondrial Fusion · compound_name
- MolClass ID
- 42469
- InChIKey
- GQZMDTJXDDZFJT-UHFFFAOYSA-N
- Canonical SMILES
- O=C1CCCC=2OC(=O)C(=CC1=2)NC(=O)c3ccccc3
- Standard InChI
- InChI=1S/C16H13NO4/c18-13-7-4-8-14-11(13)9-12(16(20)21-14)17-15(19)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,17,19)
- Stored Murcko scaffold
- O1[CH]C(=CC=2[CH]CCCC12)N[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.
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.279 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.982
- 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 · 17409869