COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL442964
Chemical Name: 2-bromo-4-{(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-6-methoxyphenylbutanoate
Smiles: CCCC(=O)Oc1c(Br)cc(cc1OC)/C=C\1/C(=O)NN(C1=O)c1cccc(c1)Cl

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Molecular Weight: 493.74
Empirical Formula: C21H18BrClN2O5

Physical State: Dry powder
Available Amount: 215 mg

Lipinsky:
logP: 4.979
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 3

     

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