COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK384744
Chemical Name: 3-(7-benzyl-4-hydroxy-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl4-nitrobenzoate
Smiles: OC1=NC(Nc2c1c1CCN(Cc1s2)Cc1ccccc1)c1cccc(c1)OC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 540.6
Empirical Formula: C29H24N4O5S

Physical State: Dry powder
Available Amount: 376 mg

Lipinsky:
logP: 3.964
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 148
Number of rings: 6

     

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