Molecule card · MolClass #32363
24824355
24824355: 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
- 24824355Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 32363
- InChIKey
- SIQWFHRCYOEDLH-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)C1=NN(C(=O)C=C1(O))c2ccc(cc2Cl)Cl
- Standard InChI
- InChI=1S/C11H7Cl2N3O3/c12-5-1-2-7(6(13)3-5)16-9(18)4-8(17)10(15-16)11(14)19/h1-4,17H,(H2,14,19)
- Stored Murcko scaffold
- N1=CC=C[CH]N1c2ccccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.098 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.59
- 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 · 24824355