COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK838620
Chemical Name: 8-{(2Z)-2-[(3E)-4-(2-chlorophenyl)but-3-en-2-ylidene]hydrazinyl}-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=C)Cn1c(N/N=C(\C=C\c2ccccc2Cl)/C)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 412.88
Empirical Formula: C20H21ClN6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.116
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 91
Number of rings: 3

     

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