Molecule card · MolClass #92143

AZM120

AZM120: 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: 92143
InChIKey: SIIRMPMJLBEIDY-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1N3C=Nc2ccc(cc2C3(=O))N4CCN(C)CC4)NC(=O)c5ccc(C#N)cc5
Standard InChI: InChI=1S/C28H26N6O2/c1-19-3-8-22(31-27(35)21-6-4-20(17-29)5-7-21)15-26(19)34-18-30-25-10-9-23(16-24(25)28(34)36)33-13-11-32(2)12-14-33/h3-10,15-16,18H,11-14H2,1-2H3,(H,31,35)
Stored Murcko scaffold: N1=CN([CH]c2cc(ccc12)N3CCNCC3)c4cccc(c4)N[CH]c5ccccc5

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.

AZM79#92115
AZM119#92142
AZM406#92408

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 8; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 92.04 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 478.546 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.297; 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 · AZM120