COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK722358
Chemical Name: 2-[(4-bromobenzyl)sulfanyl]-3-butyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCCCn1c(SCc2ccc(cc2)Br)nc2c(c1=O)c1CCCCCc1s2

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Molecular Weight: 477.49
Empirical Formula: C22H25BrN2OS2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.578
Rotatable bonds: 5
H-donors: 0
H-acceptors: 1
PSA: 86
Number of rings: 4

     

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