Molecule card · MolClass #92274

AZM270

AZM270: 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: 92274
InChIKey: VEDVRGDEFIRTMR-SECBINFHSA-N
Canonical SMILES: [H]C(C)(CO)Nc2nc(nc1NC(=O)C=Cc12)SCc3cccc(F)c3(F)
Standard InChI: InChI=1S/C17H16F2N4O2S/c1-9(7-24)20-15-11-5-6-13(25)21-16(11)23-17(22-15)26-8-10-3-2-4-12(18)14(10)19/h2-6,9,24H,7-8H2,1H3,(H2,20,21,22,23,25)/t9-/m1/s1
Stored Murcko scaffold: n1cc2C=C[CH]Nc2nc1SCc3ccccc3

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: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 112.44 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 378.398 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.401; 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 · AZM270