Molecule card · MolClass #92916

AZM937

AZM937: 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: 92916
InChIKey: UNSGOTITAWKECZ-UHFFFAOYSA-N
Canonical SMILES: CN1CCN(CC1)c6nc7ccccc7(cc6(Cn5nc(c2ccc3nc(N)sc3(c2))c4c(N)ncnc45))
Standard InChI: InChI=1S/C27H26N10S/c1-35-8-10-36(11-9-35)25-18(12-16-4-2-3-5-19(16)32-25)14-37-26-22(24(28)30-15-31-26)23(34-37)17-6-7-20-21(13-17)38-27(29)33-20/h2-7,12-13,15H,8-11,14H2,1H3,(H2,29,33)(H2,28,30,31)
Stored Murcko scaffold: n1cnc2c(c1)c(nn2Cc3cc4ccccc4nc3N5CCNCC5)-c6ccc7ncsc7c6

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: 9; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 156.14 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 522.629 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.762; 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 · AZM937