COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK530580
Chemical Name: 2-{2-[(3aS,6aS)-5-benzyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl]-2-oxoethyl}-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(Cc2ccccc2)C(=O)[C@@H]2[C@H]1C(=NN2)C(=O)CN1C(=O)c2c(C1=O)cccc2

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Molecular Weight: 416.39
Empirical Formula: C22H16N4O5

Physical State: Dry powder
Available Amount: 271 mg

Lipinsky:
logP: 1.474
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 116
Number of rings: 5

     

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