COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003541
Chemical Name: 8-(azepan-1-yl)-7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)[nH]c(=O)c2c1nc(n2CCSc1nc2c(o1)cccc2)N1CCCCCC1

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Molecular Weight: 440.53
Empirical Formula: C21H24N6O3S

Available Amount: 0 mg

Lipinsky:
logP: 3.66
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 121
Number of rings: 5

     

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