COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK012617
Chemical Name: ethyl2-({7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate
Smiles: CCOC(=O)C(Sc1nc2c(n1CC(COc1ccc(cc1)Br)O)c(=O)[nH]c(=O)n2C)CC

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Molecular Weight: 541.42
Empirical Formula: C21H25BrN4O6S

Physical State: Dry powder
Available Amount: 384 mg

Lipinsky:
logP: 4.577
Rotatable bonds: 11
H-donors: 2
H-acceptors: 6
PSA: 148
Number of rings: 3

     

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