COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK081340
Chemical Name: 8-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)OCC(Cn1c(N/N=C/c2ccc(cc2)Br)nc2c1c(=O)[nH]c(=O)n2C)O

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Molecular Weight: 547.8
Empirical Formula: C22H20BrClN6O4

Physical State: Dry powder
Available Amount: 574 mg

Lipinsky:
logP: 4.533
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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