Molecule card · MolClass #92784
AZM803
AZM803: 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
- 92784
- InChIKey
- MKPDCHGZICKQCA-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc3ncnn3(c(O)c2(CCOC(=O)c1c(F)cccc1(F)))
- Standard InChI
- InChI=1S/C15H12F2N4O3/c1-8-9(13(22)21-15(20-8)18-7-19-21)5-6-24-14(23)12-10(16)3-2-4-11(12)17/h2-4,7,22H,5-6H2,1H3
- Stored Murcko scaffold
- n1cnn2cc(cnc12)CCO[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.
- AZM802#92783
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.278 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.445
- 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.
Microsome Clearance (AZ Hackathon)
Dataset #31 · AZM803