COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552749
Chemical Name: 1-(4-chlorophenyl)-2-[(5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethanone
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)c1ccc(cc1)Cl)nn2)CC(OC3)(C)C

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Molecular Weight: 473.02
Empirical Formula: C22H21ClN4O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.828
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 122
Number of rings: 5

     

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