COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK649151
Chemical Name: 4-(2-chlorophenyl)-3-methyl-1-(9H-purin-6-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2c(C(SC1)c1ccccc1Cl)c(nn2c1ncnc2c1nc[nH]2)C

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Molecular Weight: 411.87
Empirical Formula: C18H14ClN7OS

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 3.098
Rotatable bonds: 2
H-donors: 2
H-acceptors: 1
PSA: 130
Number of rings: 5

     

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