COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK622062
Chemical Name: 2,2,5-trimethyl-9-(4-nitrobenzyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: [O-][N+](=O)c1ccc(cc1)Cn1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)C

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Molecular Weight: 436.49
Empirical Formula: C22H20N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.328
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 128
Number of rings: 5

     

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