COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK127257
Chemical Name: methyl3-nitro-5-{[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}benzoate
Smiles: CCC(c1nnc(s1)NC(=O)c1cc(cc(c1)C(=O)OC)[N+](=O)[O-])CC

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Molecular Weight: 378.41
Empirical Formula: C16H18N4O5S

Physical State: Dry powder
Available Amount: 91 mg

Lipinsky:
logP: 3.541
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 2

     

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