Molecule card · MolClass #92507

AZM510

AZM510: 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: 92507
InChIKey: MHBLRRVMUPLWSD-UHFFFAOYSA-N
Canonical SMILES: Cc2c(c1c(cccc1n2(CC(=O)O))c3cnccn3)Sc4ccc(cc4)Cl
Standard InChI: InChI=1S/C21H16ClN3O2S/c1-13-21(28-15-7-5-14(22)6-8-15)20-16(17-11-23-9-10-24-17)3-2-4-18(20)25(13)12-19(26)27/h2-11H,12H2,1H3,(H,26,27)
Stored Murcko scaffold: n1ccnc(c1)-c2cccc3[nH]cc(Sc4ccccc4)c32

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: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 93.31 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 409.89 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.394; 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 · AZM510