COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037721
Chemical Name: 1-(4-ethoxyphenyl)-3-[(2E)-5-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: C=CCc1ccccc1OCc1n[nH]/c(=N\C(=O)Nc2ccc(cc2)OCC)/s1

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Molecular Weight: 410.5
Empirical Formula: C21H22N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.032
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 109
Number of rings: 3

     

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