COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552702
Chemical Name: 1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3

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Molecular Weight: 535.09
Empirical Formula: C27H23ClN4O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.068
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 121
Number of rings: 6

     

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