COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL064102
Chemical Name: methyl(1-{[(3-iodo-4-methoxyphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Smiles: COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)c1ccc(c(c1)I)OC

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Molecular Weight: 491.31
Empirical Formula: C16H18IN3O5S

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 0.514
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 129
Number of rings: 2

     

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