Molecule card · MolClass #92956

AZM977

AZM977: 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: 92956
InChIKey: SARQAYXDOCYKSE-UHFFFAOYSA-N
Canonical SMILES: N#Cc1ccc(cc1)C(=O)Nc2ccc(nc2)n3ccnc3
Standard InChI: InChI=1S/C16H11N5O/c17-9-12-1-3-13(4-2-12)16(22)20-14-5-6-15(19-10-14)21-8-7-18-11-21/h1-8,10-11H,(H,20,22)
Stored Murcko scaffold: n1ccn(c1)-c2ncc(cc2)N[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.

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: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 83.6 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 289.292 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.002; 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 · AZM977