Molecule card · MolClass #92791

AZM810

AZM810: 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: 92791
InChIKey: RQARDUASJDPBSH-DEJXGMFUSA-N
Canonical SMILES: [H]C1(CCCN1)(CN2C=Cc3c(cccc3(C2(=O)))NC(=O)CC56(CC4CC(CC(C4)C5)C6))
Standard InChI: InChI=1S/C26H33N3O2/c30-24(15-26-12-17-9-18(13-26)11-19(10-17)14-26)28-23-5-1-4-22-21(23)6-8-29(25(22)31)16-20-3-2-7-27-20/h1,4-6,8,17-20,27H,2-3,7,9-16H2,(H,28,30)/t17?,18?,19?,20-,26?/m1/s1
Stored Murcko scaffold: c1cc2[CH]N(C=Cc2c(c1)N[CH]CC34CC5CC(CC(C5)C3)C4)CC6NCCC6

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: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 61.44 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 419.56 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.255; 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 · AZM810