Molecule card · MolClass #42837
7973641
7973641: 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
- 7973641Mitochondrial Fusion · compound_name
- MolClass ID
- 42837
- InChIKey
- XZPACUICPVWESN-UHFFFAOYSA-N
- Canonical SMILES
- COc1cccc2c1N3C(=O)c4c(cccc4(C3(CC2(C)(C))))C(=O)O
- Standard InChI
- InChI=1S/C20H19NO4/c1-20(2)10-14-11-6-4-7-12(19(23)24)16(11)18(22)21(14)17-13(20)8-5-9-15(17)25-3/h4-9,14H,10H2,1-3H3,(H,23,24)
- Stored Murcko scaffold
- c1ccc2c(c1)[CH]N3c4ccccc4CCC23
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.
- 24834386#42648
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.576
- 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 · 7973641