COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK062565
Chemical Name: methyl3-{[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate
Smiles: COc1ccc(cc1)Cc1nnc(s1)NC(=O)c1cc(cc(c1)C(=O)OC)[N+](=O)[O-]

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Molecular Weight: 428.43
Empirical Formula: C19H16N4O6S

Physical State: Dry powder
Available Amount: 395 mg

Lipinsky:
logP: 3.291
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 164
Number of rings: 3

     

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