COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK042131
Chemical Name: 7-[(2Z)-3-chlorobut-2-en-1-yl]-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: ClCC(CSc1nc2c(n1C/C=C(\Cl)/C)c(=O)[nH]c(=O)n2C)O

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Molecular Weight: 379.27
Empirical Formula: C13H16Cl2N4O3S

Physical State: Dry powder
Available Amount: 364 mg

Lipinsky:
logP: 2.737
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 112
Number of rings: 2

     

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