COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK721045
Chemical Name: 4-benzyl-1-(heptylsulfanyl)-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: CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CC(OC3)C(C)C

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Molecular Weight: 510.72
Empirical Formula: C27H34N4O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.204
Rotatable bonds: 9
H-donors: 0
H-acceptors: 2
PSA: 113
Number of rings: 5

     

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