Molecule card · MolClass #32153
14745741
14745741: 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
- 14745741Antifungal Pump Inhibitors · compound_name14745741Mitochondrial Fusion · compound_name
- MolClass ID
- 32153
- InChIKey
- SNLQLLZURSXVPX-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c5c(C)oc4c1ccccc1c3OCN(Cc2ccccn2)Cc3c45
- Standard InChI
- InChI=1S/C24H22N2O4/c1-3-28-24(27)20-15(2)30-23-18-10-5-4-9-17(18)22-19(21(20)23)13-26(14-29-22)12-16-8-6-7-11-25-16/h4-11H,3,12-14H2,1-2H3
- Stored Murcko scaffold
- n1ccccc1CN2COc3c4ccccc4c5occc5c3C2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 402.443 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.984
- 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 · 14745741
Mitochondrial Fusion
Dataset #19 · 14745741