COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543875
Chemical Name: 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-7-benzyl-3-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Cc1cccc(c1)n1c(SCc2ccc3c(c2)OCO3)nc2c(c1=O)c1CCN(Cc1s2)Cc1ccccc1

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Molecular Weight: 553.71
Empirical Formula: C31H27N3O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.316
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 107
Number of rings: 7

     

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