COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455826
Chemical Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(pentafluorobenzyl)-1H-pyrazol-3-yl]thiourea
Smiles: COc1cc(CCNC(=S)Nc2ccn(n2)Cc2c(F)c(F)c(c(c2F)F)F)ccc1OC

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Molecular Weight: 486.47
Empirical Formula: C21H19F5N4O2S

Physical State: Dry powder
Available Amount: 615 mg

Lipinsky:
logP: 3.237
Rotatable bonds: 6
H-donors: 2
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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