Molecule card · MolClass #48300
865209
865209: 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
- 865209Mitochondrial Fusion · compound_name
- MolClass ID
- 48300
- InChIKey
- ZDZYMZOUYRPVDT-UHFFFAOYSA-N
- Canonical SMILES
- CC2=C(CCC(=O)O)C(=O)Oc3cc4occ(c1ccc(F)cc1)c4(cc23)
- Standard InChI
- InChI=1S/C21H15FO5/c1-11-14(6-7-20(23)24)21(25)27-19-9-18-16(8-15(11)19)17(10-26-18)12-2-4-13(22)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,23,24)
- Stored Murcko scaffold
- O1[CH]C=Cc2cc3c(occ3-c4ccccc4)cc12
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.
- 17414381#47200
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.34 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.779
- 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 · 865209