Molecule card · MolClass #92909

AZM930

AZM930: 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: 92909
InChIKey: OVTPSSRHMPJRCX-UHFFFAOYSA-N
Canonical SMILES: [H]n2c3ccc(C#N)cc3(c(CCCC(=O)NS(C)(=O)=O)c2(c1ccc(F)cc1))
Standard InChI: InChI=1S/C20H18FN3O3S/c1-28(26,27)24-19(25)4-2-3-16-17-11-13(12-22)5-10-18(17)23-20(16)14-6-8-15(21)9-7-14/h5-11,23H,2-4H2,1H3,(H,24,25)
Stored Murcko scaffold: c1ccc(cc1)-c2cc3ccccc3[nH]2

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.

LOPAC 00860#404
47165-04-8#6124
47165-04-8#8059
132496#9646
445#18958
534#19044
538#19048
2182#20644
2299#20749
2460#20905
3831#22204
3834#22207
4146#22503
4327#22677
4655#22989
4783#23111
47195318#27699
864151#29943
47198176#30034
7975326#31505

View all molecules with this scaffold →

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 111.2 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 399.44 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.305; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Microsome Clearance (AZ Hackathon)
Dataset #31 · AZM930