COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044811
Chemical Name: 8-(azepan-1-yl)-7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Cn1c(=O)nc(c2c1nc(n2CCCSc1nc2c(o1)cccc2)N1CCCCCC1)O

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Molecular Weight: 454.55
Empirical Formula: C22H26N6O3S

Physical State: Dry powder
Available Amount: 287 mg

Lipinsky:
logP: 3.527
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 125
Number of rings: 5

     

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