Molecule card · MolClass #26747
24787718
24787718: 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
- 24787718Antifungal Pump Inhibitors · compound_name24787718Mitochondrial Fusion · compound_name
- MolClass ID
- 26747
- InChIKey
- KVXCOGMABFRSFK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(C)sc2ncnc(c12)n4nnc3ccccc34
- Standard InChI
- InChI=1S/C14H11N5S/c1-8-9(2)20-14-12(8)13(15-7-16-14)19-11-6-4-3-5-10(11)17-18-19/h3-7H,1-2H3
- Stored Murcko scaffold
- n1nn(-c2ncnc3sccc32)c4ccccc14
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.
- 24826113#35808
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.337 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.901
- 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 · 24787718
Mitochondrial Fusion
Dataset #19 · 24787718