Molecule card · MolClass #14859
3035397
3035397: 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
- MolClass ID
- 14859
- InChIKey
- JUCGNEOPGOCUMI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccn2cc(CNS(=O)(=O)N(C)C)nc2(c1)
- Standard InChI
- InChI=1S/C11H16N4O2S/c1-9-4-5-15-8-10(13-11(15)6-9)7-12-18(16,17)14(2)3/h4-6,8,12H,7H2,1-3H3
- 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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.337 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.729
- 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.
Auto-fluorescence Prediction
Dataset #13 · 3035397