COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK648581
Chemical Name: 3-methyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-1-(pyrimidin-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: C#CCOc1ccc(cc1)C1SCC(=Nc2c1c(C)nn2c1ncccn1)O

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Molecular Weight: 391.45
Empirical Formula: C20H17N5O2S

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 0.738
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 110
Number of rings: 4

     

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