Molecule card · MolClass #92897

AZM918

AZM918: 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: 92897
InChIKey: DPTNZCSNVMOOAE-INIZCTEOSA-N
Canonical SMILES: [H]C(C)(NC(=O)c3c(C)nn(C1CCC1)c3(NS(=O)(=O)c2ccc(C)cc2))C(C)(C)C
Standard InChI: InChI=1S/C22H32N4O3S/c1-14-10-12-18(13-11-14)30(28,29)25-20-19(21(27)23-16(3)22(4,5)6)15(2)24-26(20)17-8-7-9-17/h10-13,16-17,25H,7-9H2,1-6H3,(H,23,27)/t16-/m0/s1
Stored Murcko scaffold: n1ccc(NSc2ccccc2)n1C3CCC3

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: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 101.47 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 432.581 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.986; 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 · AZM918