Molecule card · MolClass #4521
160543-18-0
160543-18-0: 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
- 4521
- InChIKey
- QZVGOOACZKWFBZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc3c5cc(CO)ccc5(nc4c1ccccc1C2OC2c34)
- Standard InChI
- InChI=1S/C19H15NO2/c1-10-14-8-11(9-21)6-7-15(14)20-17-12-4-2-3-5-13(12)18-19(22-18)16(10)17/h2-8,18-19,21H,9H2,1H3
- Stored Murcko scaffold
- n1c2ccccc2cc3c1-c4ccccc4C5OC35
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.329 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.172
- 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.
Toxicity Benchmark
Dataset #5 · 160543-18-0