COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538761
Chemical Name: {[4-(4-methoxyphenyl)-5-oxo-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}aceticacid
Smiles: COc1ccc(cc1)n1c(=O)c2c3CCCCCc3sc2n2c1nnc2SCC(=O)O

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Molecular Weight: 456.55
Empirical Formula: C21H20N4O4S2

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 5.582
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 151
Number of rings: 5

     

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