COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK743993
Chemical Name: N-cycloheptyl-2-({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Smiles: O=C(NC1CCCCCC1)CSc1nc2c(n1Cc1cccc(c1)C(F)(F)F)c(=O)n(c(=O)n2C)C

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Molecular Weight: 523.58
Empirical Formula: C24H28F3N5O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.185
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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