COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040080
Chemical Name: 1-[(2Z)-5-(3-bromobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(3,4-dimethylphenyl)urea
Smiles: Brc1cccc(c1)Cc1n[nH]/c(=N/C(=O)Nc2ccc(c(c2)C)C)/s1

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Molecular Weight: 417.33
Empirical Formula: C18H17BrN4OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.385
Rotatable bonds: 2
H-donors: 2
H-acceptors: 1
PSA: 91
Number of rings: 3

     

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