Structure of molecule 92887

Molecule card · MolClass #92887

AZM908

AZM908: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

MolClass ID
92887
InChIKey
ANXLTXNOZIKJSV-UHFFFAOYSA-N
Canonical SMILES
[H]n2c3ccc(C#N)cc3(c(CCCC(=O)NS(=O)(=O)N(C)C)c2(c1ccc(F)cc1))
Standard InChI
InChI=1S/C21H21FN4O3S/c1-26(2)30(28,29)25-20(27)5-3-4-17-18-12-14(13-23)6-11-19(18)24-21(17)15-7-9-16(22)10-8-15/h6-12,24H,3-5H2,1-2H3,(H,25,27)
Stored Murcko scaffold
c1ccc(cc1)-c2cc3ccccc3[nH]2

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.

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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
8
CDK 2.12 · 2026-08-19
Topological polar surface area
114.44 Ų
CDK 2.12 · 2026-08-19
Molecular weight
428.482 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.872
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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

  • Microsome Clearance (AZ Hackathon)

    Dataset #31 · AZM908