COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL151053
Chemical Name: 1-(3,4-dimethylphenyl)-3-[(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: O=C(/N=c/1\[nH]nc(s1)c1cccc(c1)[N+](=O)[O-])Nc1ccc(c(c1)C)C

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Molecular Weight: 369.4
Empirical Formula: C17H15N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.319
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 136
Number of rings: 3

     

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