Molecule card · MolClass #27033
24815967
24815967: 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
- 24815967Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 27033
- InChIKey
- RSNKJFPMFSTGDQ-UHFFFAOYSA-N
- Canonical SMILES
- ONC(=O)CSc2nccn2(c1ccccc1)
- Standard InChI
- InChI=1S/C11H11N3O2S/c15-10(13-16)8-17-11-12-6-7-14(11)9-4-2-1-3-5-9/h1-7,16H,8H2,(H,13,15)
- Stored Murcko scaffold
- n1ccn(c1)-c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 249.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.053
- 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 · 24815967