COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK557450
Chemical Name: 5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)[N+](=O)[O-])nn2)CCC3

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Molecular Weight: 429.55
Empirical Formula: C18H15N5O2S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.918
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 167
Number of rings: 5

     

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