COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK710960
Chemical Name: methyl5-(2-bromophenyl)-1-(2-methyl-4-oxopentan-2-yl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccccc1Br)C(CC(=O)C)(C)C

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Molecular Weight: 450.29
Empirical Formula: C19H20BrN3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.667
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 96
Number of rings: 3

     

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