Molecule card · MolClass #52215
4241140
4241140: 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
- 4241140Mitochondrial Fusion · compound_name
- MolClass ID
- 52215
- InChIKey
- ZHMSDLMUONAZKI-UHFFFAOYSA-N
- Canonical SMILES
- COc4ccc(NC(=O)c3oc1ccccc1c3(NC(=O)COc2ccccc2(OC)))c(c4)OC
- Standard InChI
- InChI=1S/C26H24N2O7/c1-31-16-12-13-18(22(14-16)33-3)27-26(30)25-24(17-8-4-5-9-19(17)35-25)28-23(29)15-34-21-11-7-6-10-20(21)32-2/h4-14H,15H2,1-3H3,(H,27,30)(H,28,29)
- Stored Murcko scaffold
- o1c2ccccc2c(N[CH]COc3ccccc3)c1[CH]Nc4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 11
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 476.479 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.933
- 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 · 4241140