Molecule card · MolClass #32284
14724330
14724330: 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
- 14724330Antifungal Pump Inhibitors · compound_name14724330Mitochondrial Fusion · compound_name
- MolClass ID
- 32284
- InChIKey
- KSIZMUBFKCWQRO-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2c(N)sc1c2(ccc(c1(OCC))Br)
- Standard InChI
- InChI=1S/C13H14BrNO3S/c1-3-17-10-8(14)6-5-7-9(13(16)18-4-2)12(15)19-11(7)10/h5-6H,3-4,15H2,1-2H3
- Stored Murcko scaffold
- s1ccc2ccccc12
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.225 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.814
- 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 · 14724330
Mitochondrial Fusion
Dataset #19 · 14724330