Molecule card · MolClass #18419
1918036
1918036: 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
- 18419
- InChIKey
- MFPABVYHQQJLES-CMDGGOBGSA-N
- Canonical SMILES
- Fc1cccc(c1)N4N=C(C=Cc2cccs2)CC4(c3cccs3)
- Standard InChI
- InChI=1S/C19H15FN2S2/c20-14-4-1-5-16(12-14)22-18(19-7-3-11-24-19)13-15(21-22)8-9-17-6-2-10-23-17/h1-12,18H,13H2/b9-8+
- Stored Murcko scaffold
- N1=C(C=Cc2sccc2)CC(c3sccc3)N1c4ccccc4
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
- 2
- 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
- 72.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.467 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.163
- 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 · 1918036