COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK528082
Chemical Name: 3-({7-[(2E)-3-chlorobut-2-en-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoicacid
Smiles: OC(=O)CCSc1nc2c(n1C/C=C(/Cl)\C)c(=O)[nH]c(=O)n2C

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Molecular Weight: 358.81
Empirical Formula: C13H15ClN4O4S

Physical State: Dry powder
Available Amount: 283 mg

Lipinsky:
logP: 2.472
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 129
Number of rings: 2

     

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