Molecule card · MolClass #5349
143922-99-0
143922-99-0: 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
- 5349
- InChIKey
- LZKDSQWEMJZWMS-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)Nc2cccc(N=Nc1cccc(NC(C)=O)c1(C))c2(C)
- Standard InChI
- InChI=1S/C18H20N4O2/c1-11-15(19-13(3)23)7-5-9-17(11)21-22-18-10-6-8-16(12(18)2)20-14(4)24/h5-10H,1-4H3,(H,19,23)(H,20,24)
- Stored Murcko scaffold
- N(=Nc1ccccc1)c2ccccc2
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.
- olsalazine#1279
- 6257-64-3#2654
- 143922-97-8#2671
- 2832-40-8#2689
- 35077-51-1#2806
- 532-82-1#2892
- 35282-68-9#2902
- 84434-42-4#2906
- 34049-50-8#3098
- 53499-68-6#3405
- 55-80-1#3408
- 60-09-3#3426
- 64896-26-0#3429
- 80324-43-2#3578
- 37797-31-2#3728
- 6300-61-4#3833
- 138805-29-5#3938
- 54-88-6#3962
- 31464-26-3#3970
- 35282-72-5#4121
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.378 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.1
- 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 · 143922-99-0