Molecule card · MolClass #92988

AZM1009

AZM1009: 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: 92988
InChIKey: NTOLEUDARGTNNY-UHFFFAOYSA-N
Canonical SMILES: CCCS(=O)(=O)N1N=Cc2cc(ccc2(B1(O)))Cl
Standard InChI: InChI=1S/C10H12BClN2O3S/c1-2-5-18(16,17)14-11(15)10-4-3-9(12)6-8(10)7-13-14/h3-4,6-7,15H,2,5H2,1H3
Stored Murcko scaffold: N1=Cc2ccccc2BN1

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: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 78.35 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 286.544 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.723; 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 · AZM1009