COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK072212
Chemical Name: methyl3-{[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate
Smiles: COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1nnc(s1)CC(C)C

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Saltdata: HCl
Molecular Weight: 364.38
Empirical Formula: C15H16N4O5S

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 3.01
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 2

     

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