Molecule card · MolClass #92825

AZM845

AZM845: 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: 92825
InChIKey: LZJNFCVJVFKBPQ-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)Nc3c(c(C)nn3(c2ccccc2))C(=O)N(C)C4CCCCC4
Standard InChI: InChI=1S/C25H30N4O3S/c1-18-14-16-22(17-15-18)33(31,32)27-24-23(25(30)28(3)20-10-6-4-7-11-20)19(2)26-29(24)21-12-8-5-9-13-21/h5,8-9,12-17,20,27H,4,6-7,10-11H2,1-3H3
Stored Murcko scaffold: n1cc([CH][N]C2CCCCC2)c(NSc3ccccc3)n1-c4ccccc4

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.

AZM692#92678

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 92.68 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 466.598 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.688; 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 · AZM845