COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK869155
Chemical Name: 5-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}pentanenitrile
Smiles: C=CCn1c(SCCCCC#N)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 333.41
Empirical Formula: C15H19N5O2S

Physical State: Dry powder
Available Amount: 343 mg

Lipinsky:
logP: 2.33
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 107
Number of rings: 2

     

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