COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544846
Chemical Name: 2-{3-[(3aS,6aS)-5-(4-acetylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(c2ccc(cc2)C(=O)C)C(=O)[C@@H]2[C@H]1C(=NN2)C(=O)CCN1C(=O)c2c(C1=O)cccc2

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Molecular Weight: 458.43
Empirical Formula: C24H18N4O6

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: -0.026
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 133
Number of rings: 5

     

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