COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK087464
Chemical Name: methyl1-acetyl-5-(3-chloro-4-methylphenyl)-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)c1ccc(c(c1)Cl)C)C(=O)C

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Molecular Weight: 363.76
Empirical Formula: C16H14ClN3O5

Physical State: Dry powder
Available Amount: 565 mg

Lipinsky:
logP: 0.099
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 96
Number of rings: 3

     

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