COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK461556
Chemical Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(pyrrolidin-1-ylsulfonyl)phenyl]thiourea
Smiles: COc1cc(CCNC(=S)Nc2ccc(cc2)S(=O)(=O)N2CCCC2)ccc1OC

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Molecular Weight: 449.6
Empirical Formula: C21H27N3O4S2

Physical State: Dry powder
Available Amount: 472 mg

Lipinsky:
logP: 3.091
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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