Molecule card · MolClass #92171

AZM153

AZM153: 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: 92171
InChIKey: KIBDJJXRHBWQSZ-UHFFFAOYSA-N
Canonical SMILES: CCN(C(=O)Cc1ccc(cc1)S(C)(=O)=O)C2CCN(CC2)CCC(c3ccccc3)N4CCC(CC4)C(C)=O
Standard InChI: InChI=1S/C32H45N3O4S/c1-4-35(32(37)24-26-10-12-30(13-11-26)40(3,38)39)29-16-19-33(20-17-29)21-18-31(28-8-6-5-7-9-28)34-22-14-27(15-23-34)25(2)36/h5-13,27,29,31H,4,14-24H2,1-3H3
Stored Murcko scaffold: [N]([CH]Cc1ccccc1)C2CCN(CC2)CCC(c3ccccc3)N4CCCCC4

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: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 12; CDK 2.12 · 2026-08-19
Topological polar surface area: 86.38 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 567.785 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.926; 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 · AZM153