COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK528063
Chemical Name: 7-[(2Z)-3-chlorobut-2-en-1-yl]-8-{(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=C/Cn1c(N/N=C(/c2ccc(cc2)Cl)\C)nc2c1c(=O)[nH]c(=O)n2C)/Cl

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Molecular Weight: 421.29
Empirical Formula: C18H18Cl2N6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.178
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 91
Number of rings: 3

     

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