Molecule card · MolClass #92623

AZM633

AZM633: 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: 92623
InChIKey: GUHUHCDILUWHDD-UHFFFAOYSA-N
Canonical SMILES: O=C3C=NN(c1ccc(c(c1)C(=O)NCC2(O)(CCCCCC2))Cl)C(=O)N3
Standard InChI: InChI=1S/C18H21ClN4O4/c19-14-6-5-12(23-17(26)22-15(24)10-21-23)9-13(14)16(25)20-11-18(27)7-3-1-2-4-8-18/h5-6,9-10,27H,1-4,7-8,11H2,(H,20,25)(H,22,24,26)
Stored Murcko scaffold: N1=C[CH]N[CH]N1c2cccc([CH]NCC3CCCCCC3)c2

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: 8; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 111.1 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 392.837 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.711; 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 · AZM633