Molecule card · MolClass #51218
17401356
17401356: 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
- 17401356Mitochondrial Fusion · compound_name
- MolClass ID
- 51218
- InChIKey
- NWULKMYMWPIZAX-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c2cc1ccccc1c(c2(OC))c3c4ccccc4(cc(C(=O)OC)c3(OC))
- Standard InChI
- InChI=1S/C26H22O6/c1-29-23-19(25(27)31-3)13-15-9-5-7-11-17(15)21(23)22-18-12-8-6-10-16(18)14-20(24(22)30-2)26(28)32-4/h5-14H,1-4H3
- Stored Murcko scaffold
- c1ccc2c(c1)cccc2-c3cccc4ccccc43
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.
- 17507488#33347
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 430.45 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.196
- 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 · 17401356