COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL287863
Chemical Name: methyl4-[3-methyl-7-oxo-1-(9H-purin-6-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1SCC(=O)Nc2c1c(C)nn2c1ncnc2c1nc[nH]2

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Molecular Weight: 435.47
Empirical Formula: C20H17N7O3S

Available Amount: 0 mg

Lipinsky:
logP: 3.374
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 152
Number of rings: 5

     

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