Molecule card · MolClass #44337
24793283
24793283: 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
- 24793283Mitochondrial Fusion · compound_name
- MolClass ID
- 44337
- InChIKey
- FOCDGTNTBIORFS-UHFFFAOYSA-N
- Canonical SMILES
- CCCc2cc4c(cc2(OCc1ccc(o1)C(=O)O))OC(=O)C=C4(c3ccccc3)
- Standard InChI
- InChI=1S/C24H20O6/c1-2-6-16-11-19-18(15-7-4-3-5-8-15)12-23(25)30-22(19)13-21(16)28-14-17-9-10-20(29-17)24(26)27/h3-5,7-13H,2,6,14H2,1H3,(H,26,27)
- Stored Murcko scaffold
- O1[CH]C=C(c2ccccc2)c3ccc(OCc4occc4)cc13
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 404.413 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.841
- 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 · 24793283