Molecule card · MolClass #24370
3202-0050
3202-0050: 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
- 3202-0050Compound aggregation · compound_name
- MolClass ID
- 24370
- InChIKey
- FVOVEWAXPWEHHW-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)c1ccc(cc1)Sc3nnc(NC(=O)c2ccc(cc2)Cl)s3
- Standard InChI
- InChI=1S/C17H15ClN4OS2/c1-22(2)13-7-9-14(10-8-13)24-17-21-20-16(25-17)19-15(23)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,20,23)
- Stored Murcko scaffold
- n1nc(sc1Sc2ccccc2)N[CH]c3ccccc3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 390.913 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.303
- 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.
Compound aggregation
Dataset #16 · 3202-0050