COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL287816
Chemical Name: 3-methyl-1-(9H-purin-6-yl)-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: O=C1CSC(c2c(N1)n(nc2C)c1ncnc2c1nc[nH]2)c1ccccc1C(F)(F)F

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Molecular Weight: 445.43
Empirical Formula: C19H14F3N7OS

Available Amount: 0 mg

Lipinsky:
logP: 3.968
Rotatable bonds: 1
H-donors: 2
H-acceptors: 1
PSA: 126
Number of rings: 5

     

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