Molecule card · MolClass #92481

AZM483

AZM483: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

MolClass ID: 92481
InChIKey: VVWTYHCFZJLFJA-SSEXGKCCSA-N
Canonical SMILES: [H]C(CCN1CCC(CC1)N(CC)C(=O)Cc2ccc(cc2)S(C)(=O)=O)(C3CCN(CC3)S(C)(=O)=O)c4cccc(c4)C(F)(F)F
Standard InChI: InChI=1S/C32H44F3N3O5S2/c1-4-38(31(39)22-24-8-10-29(11-9-24)44(2,40)41)28-14-17-36(18-15-28)19-16-30(25-12-20-37(21-13-25)45(3,42)43)26-6-5-7-27(23-26)32(33,34)35/h5-11,23,25,28,30H,4,12-22H2,1-3H3/t30-/m1/s1
Stored Murcko scaffold: [N]([CH]Cc1ccccc1)C2CCN(CC2)CCC(c3ccccc3)C4CCNCC4

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.

AZM476#92475
AZM484#92482
AZM492#92490
AZM524#92521

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 8; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 13; CDK 2.12 · 2026-08-19
Topological polar surface area: 111.83 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 671.837 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.927; 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 · AZM483