COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK080377
Chemical Name: 2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-3-(4-chlorophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Clc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)OCO3)nc2c(c1=O)c1CCCCc1s2

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Molecular Weight: 511.02
Empirical Formula: C25H19ClN2O4S2

Physical State: Dry powder
Available Amount: 407 mg

Lipinsky:
logP: 6.108
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 121
Number of rings: 6

     

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