COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK721044
Chemical Name: 4-benzyl-1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC(C1OCc2c(C1)c1c(s2)n2c(SCC(=O)c3ccc(cc3)Br)nnc2n(c1=O)Cc1ccccc1)C

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Molecular Weight: 609.57
Empirical Formula: C28H25BrN4O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.259
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 130
Number of rings: 6

     

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