COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK553107
Chemical Name: 3-[(4-chlorobenzyl)sulfanyl]-5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)Cl)nn2)CC(OC3)(C)C

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Molecular Weight: 445.01
Empirical Formula: C21H21ClN4OS2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.036
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 105
Number of rings: 5

     

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