Molecule card · MolClass #92622

AZM632

AZM632: 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: 92622
InChIKey: CZOLYIGPNKZOTG-CKMRVLJOSA-N
Canonical SMILES: [H]n7nnnc7(CCNC1([H])(CCCN(C1)c6ccc5c(ccc(c5(C(=O)NCC34(CC2CC(CC(C2)C3)C4)))Cl)n6))
Standard InChI: InChI=1S/C29H37ClN8O/c30-23-4-5-24-22(27(23)28(39)32-17-29-13-18-10-19(14-29)12-20(11-18)15-29)3-6-26(33-24)38-9-1-2-21(16-38)31-8-7-25-34-36-37-35-25/h3-6,18-21,31H,1-2,7-17H2,(H,32,39)(H,34,35,36,37)/t18?,19?,20?,21-,29?/m0/s1
Stored Murcko scaffold: n1n[nH]c(n1)CCNC2CN(c3nc4cccc([CH]NCC56CC7CC(CC(C7)C5)C6)c4cc3)CCC2

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: 9; CDK 2.12 · 2026-08-19
Topological polar surface area: 111.72 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 549.111 g/mol; CDK 2.12 · 2026-08-19
XLogP: 7.311; 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 · AZM632