Molecule card · MolClass #92625

AZM635

AZM635: 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: 92625
InChIKey: DKSKRBVXRDGYAS-UHFFFAOYSA-N
Canonical SMILES: CCCCNC(=O)c2ccc(Oc1ccc(CC(=O)O)cc1(OC))c(c2)NS(=O)(=O)c3ccc(cc3Cl)Cl
Standard InChI: InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-9-21(37-22-8-5-16(13-25(31)32)12-23(22)36-2)20(14-17)30-38(34,35)24-10-7-18(27)15-19(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
Stored Murcko scaffold: O(c1ccccc1)c2ccccc2NSc3ccccc3

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.

CD 10699#65080
RJF 01707#80649
COc1ccc(cc1OC)S(=O)(=O)Nc1ccccc1Oc1ccc(Cl)cc1Cl#154233

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 13; CDK 2.12 · 2026-08-19
Topological polar surface area: 139.41 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 581.467 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.269; 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 · AZM635