COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526833
Chemical Name: (3aS,6aS)-3-(quinolin-2-ylcarbonyl)-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)[C@@H]2[C@H]1C(=NN2)C(=O)c1ccc2c(n1)cccc2

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Molecular Weight: 438.37
Empirical Formula: C22H13F3N4O3

Physical State: Dry powder
Available Amount: 181 mg

Lipinsky:
logP: 1.482
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 91
Number of rings: 5

     

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