COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543412
Chemical Name: 2-{3-[(3aS,6aS)-5-(1,3-benzodioxol-5-yl)-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(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1C(=NN2)C(=O)CCN1C(=O)c2c(C1=O)cccc2

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Molecular Weight: 460.4
Empirical Formula: C23H16N4O7

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: 0.389
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 134
Number of rings: 6

     

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