COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455967
Chemical Name: 1-[4-chloro-1-(2,4-dichlorobenzyl)-1H-pyrazol-3-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
Smiles: COc1cc(CCNC(=S)Nc2nn(cc2Cl)Cc2ccc(cc2Cl)Cl)ccc1OC

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Molecular Weight: 499.85
Empirical Formula: C21H21Cl3N4O2S

Physical State: Dry powder
Available Amount: 170 mg

Lipinsky:
logP: 5.114
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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