Molecule card · MolClass #25903
7964633
7964633: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7964633Antifungal Pump Inhibitors · compound_name7964633Mitochondrial Fusion · compound_name
- MolClass ID
- 25903
- InChIKey
- WEMRYTUZPHFMIQ-UHFFFAOYSA-N
- Canonical SMILES
- CC4(C)(Oc2ccc1C=CC(=O)Oc1c2c3cnoc34)
- Standard InChI
- InChI=1S/C15H11NO4/c1-15(2)14-9(7-16-20-14)12-10(19-15)5-3-8-4-6-11(17)18-13(8)12/h3-7H,1-2H3
- Stored Murcko scaffold
- n1oc2c(c1)-c3c(OC2)ccc4C=C[CH]Oc43
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.253 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.916
- 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.
Antifungal Pump Inhibitors
Dataset #18 · 7964633
Mitochondrial Fusion
Dataset #19 · 7964633