COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK528406
Chemical Name: ethyl2-({7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate
Smiles: CCOC(=O)C(Sc1nc2c(n1C/C=C(\Cl)/C)c(=O)[nH]c(=O)n2C)CC

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Molecular Weight: 400.89
Empirical Formula: C16H21ClN4O4S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 4.177
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 118
Number of rings: 2

     

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