COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK381889
Chemical Name: 7-benzyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Smiles: O=C1NC(Nc2c1c1CCN(Cc1s2)Cc1ccccc1)c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 464.5
Empirical Formula: C23H20N4O5S

Physical State: Dry powder
Available Amount: 543 mg

Lipinsky:
logP: 2.401
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 136
Number of rings: 6

     

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