COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK557005
Chemical Name: 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCc1ccc(cc1)[N+](=O)[O-])SC

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Molecular Weight: 487.63
Empirical Formula: C21H21N5O3S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.203
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 176
Number of rings: 5

     

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