COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039562
Chemical Name: 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(2,3-dihydroxypropyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCC(Cn1c(N/N=C/C(=C/c2ccccc2)/Br)nc2c1c(O)nc(=O)n2C)O

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Molecular Weight: 463.29
Empirical Formula: C18H19BrN6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.209
Rotatable bonds: 8
H-donors: 4
H-acceptors: 4
PSA: 135
Number of rings: 3

     

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