Molecule card · MolClass #48792
17433485
17433485: 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
- 17433485Mitochondrial Fusion · compound_name
- MolClass ID
- 48792
- InChIKey
- TVCJJESLKFUKOR-UHFFFAOYSA-N
- Canonical SMILES
- CCOc2cc3CC(=O)OC(c1ccccc1(OC))c3(cc2(OCC))
- Standard InChI
- InChI=1S/C20H22O5/c1-4-23-17-10-13-11-19(21)25-20(15(13)12-18(17)24-5-2)14-8-6-7-9-16(14)22-3/h6-10,12,20H,4-5,11H2,1-3H3
- Stored Murcko scaffold
- O1[CH]Cc2ccccc2C1c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.386 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.356
- 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 · 17433485