Molecule card · MolClass #26690
24824412
24824412: 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
- 24824412Antifungal Pump Inhibitors · compound_name24824412Mitochondrial Fusion · compound_name
- MolClass ID
- 26690
- InChIKey
- SSNQBGWVRZEBLN-UHFFFAOYSA-N
- Canonical SMILES
- Cn1cc2cc(ccc2(n1))NC(N)=S
- Standard InChI
- InChI=1S/C9H10N4S/c1-13-5-6-4-7(11-9(10)14)2-3-8(6)12-13/h2-5H,1H3,(H3,10,11,14)
- Stored Murcko scaffold
- n1[nH]cc2ccccc12
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 206.269 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.471
- 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 · 24824412
Mitochondrial Fusion
Dataset #19 · 24824412