Molecule card · MolClass #93038
AZM1060
AZM1060: 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
- 93038
- InChIKey
- ZFFFVIWGCISVOP-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(cc1)NC(=O)CCc2c(C)nc3nc(C)nn3(c2(C))
- Standard InChI
- InChI=1S/C19H23N5O2/c1-5-26-16-8-6-15(7-9-16)22-18(25)11-10-17-12(2)20-19-21-14(4)23-24(19)13(17)3/h6-9H,5,10-11H2,1-4H3,(H,22,25)
- Stored Murcko scaffold
- n1cnn2cc(cnc12)CC[CH]Nc3ccccc3
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.
- AZM1065#93043
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.419 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.152
- 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 · AZM1060