COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552144
Chemical Name: 2-{[10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)c1ccc(cc1)F)nn2)CC(OC3)(C)C

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Molecular Weight: 474.6
Empirical Formula: C21H19FN4O2S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.698
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 148
Number of rings: 5

     

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