COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK744059
Chemical Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 443.48
Empirical Formula: C20H21N5O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.189
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 131
Number of rings: 4

     

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