COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK699023
Chemical Name: 1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCC(=O)c1ccc(cc1)Cl

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Molecular Weight: 537.06
Empirical Formula: C26H21ClN4O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.543
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 130
Number of rings: 6

     

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