Molecule card · MolClass #92690

AZM706

AZM706: 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: 92690
InChIKey: MCZWBSFGGNTCLH-QHCPKHFHSA-N
Canonical SMILES: [H]C(O)(CNCCc2cccc(CNCCc1c(cccc1Cl)Cl)c2)c3ccc(O)c4NC(=O)Sc34
Standard InChI: InChI=1S/C26H27Cl2N3O3S/c27-20-5-2-6-21(28)18(20)10-12-29-14-17-4-1-3-16(13-17)9-11-30-15-23(33)19-7-8-22(32)24-25(19)35-26(34)31-24/h1-8,13,23,29-30,32-33H,9-12,14-15H2,(H,31,34)/t23-/m0/s1
Stored Murcko scaffold: S1[CH]Nc2cccc(c12)CCNCCc3cccc(c3)CNCCc4ccccc4

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.

AZM717#92701
AZM719#92703
AZM720#92704

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 5; CDK 2.12 · 2026-08-19
Rotatable bonds: 11; CDK 2.12 · 2026-08-19
Topological polar surface area: 118.92 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 532.484 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.644; 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 · AZM706