Molecule card · MolClass #15037
1618000
1618000: 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
- 15037
- InChIKey
- RVXFERDBNJSQDX-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)c1ccnc3c1c2ncnc(c2s3)SCc4ccc(cc4)Cl
- Standard InChI
- InChI=1S/C18H15ClN4S2/c1-23(2)13-7-8-20-17-14(13)15-16(25-17)18(22-10-21-15)24-9-11-3-5-12(19)6-4-11/h3-8,10H,9H2,1-2H3
- Stored Murcko scaffold
- n1cnc2c(sc3ncccc32)c1SCc4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 386.924 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.698
- 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 · 1618000