COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK550125
Chemical Name: 10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SC/C=C/c1ccccc1)nn2)CC(OC3)(C)C

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Molecular Weight: 454.64
Empirical Formula: C22H22N4OS3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.545
Rotatable bonds: 4
H-donors: 0
H-acceptors: 1
PSA: 131
Number of rings: 5

     

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