COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK720454
Chemical Name: 4-(3-chlorophenyl)-7,7-dimethyl-1-[(4-nitrobenzyl)sulfanyl]-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1cccc(c1)n1c2nnc(n2c2c(c1=O)c1CC(C)(C)OCc1s2)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 554.05
Empirical Formula: C25H20ClN5O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.756
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 159
Number of rings: 6

     

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