COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455966
Chemical Name: 1-[1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
Smiles: COc1cc(CCNC(=S)Nc2ncn(n2)Cc2ccc(c(c2)Cl)Cl)ccc1OC

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Molecular Weight: 466.39
Empirical Formula: C20H21Cl2N5O2S

Physical State: Dry powder
Available Amount: 111 mg

Lipinsky:
logP: 4.022
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 105
Number of rings: 3

     

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