Molecule card · MolClass #27375
24801330
24801330: 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
- 24801330Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 27375
- InChIKey
- KZAQVIPPAGRIPY-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc1ccc(cn1c2C(=O)NN)Cl
- Standard InChI
- InChI=1S/C9H9ClN4O/c1-5-8(9(15)13-11)14-4-6(10)2-3-7(14)12-5/h2-4H,11H2,1H3,(H,13,15)
- Stored Murcko scaffold
- n1ccn2ccccc12
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
- 4
- 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
- 72.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 224.647 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.277
- 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 · 24801330