COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL322792
Chemical Name: 7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-8-{(2E)-2-[2-oxo-1-(prop-2-en-1-yl)-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCN1C(=O)/C(=N/Nc2nc3c(n2C/C=C(\Cl)/C)c(=O)[nH]c(=O)n3C)/c2c1cccc2

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Molecular Weight: 453.89
Empirical Formula: C21H20ClN7O3

Available Amount: 0 mg

Lipinsky:
logP: 3.589
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 111
Number of rings: 4

     

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