COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK551913
Chemical Name: 2-(2-{[5-(methylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}ethyl)-1H-isoindole-1,3(2H)-dione
Smiles: CSc1nc2sc3c(c2c2n1c(SCCN1C(=O)c4c(C1=O)cccc4)nn2)CCCC3

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Molecular Weight: 481.62
Empirical Formula: C22H19N5O2S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.623
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 159
Number of rings: 6

     

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