COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK464525
Chemical Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea
Smiles: COc1ccc(cc1NC(=S)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)OC

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Molecular Weight: 449.6
Empirical Formula: C21H27N3O4S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 3.947
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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