COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK030364
Chemical Name: 7-(4-chlorobenzyl)-3-methyl-8-{(2E)-2-[(3E)-4-phenylbut-3-en-2-ylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C(/C=C/c2ccccc2)\C)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 448.91
Empirical Formula: C23H21ClN6O2

Physical State: Dry powder
Available Amount: 287 mg

Lipinsky:
logP: 4.729
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 91
Number of rings: 4

     

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