COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK530237
Chemical Name: 4-[(3aS,6aS)-4,6-dioxo-3-(quinolin-2-ylcarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzonitrile
Smiles: N#Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NN2)C(=O)c1ccc2c(n1)cccc2

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Molecular Weight: 395.38
Empirical Formula: C22H13N5O3

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 0.347
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 115
Number of rings: 5

     

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