COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK385515
Chemical Name: 2-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl2-nitrobenzenesulfonate
Smiles: O=c1[nH]c(nc2c1c1CCCCc1s2)c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 483.53
Empirical Formula: C22H17N3O6S2

Physical State: Dry powder
Available Amount: 147 mg

Lipinsky:
logP: 4.685
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 167
Number of rings: 5

     

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