COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL005037
Chemical Name: methyl1-(4-bromophenyl)-5-(3-chloro-2-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)c1cccc(c1C)Cl)c1ccc(cc1)Br

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Molecular Weight: 476.71
Empirical Formula: C20H15BrClN3O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.008
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 79
Number of rings: 4

     

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