COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK720470
Chemical Name: 4-(3-chlorophenyl)-1-[(4-nitrobenzyl)sulfanyl]-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1cccc(c1)n1c(=O)c2c3CCCc3sc2n2c1nnc2SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 510
Empirical Formula: C23H16ClN5O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.002
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 150
Number of rings: 6

     

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