COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL246004
Chemical Name: 3-(4-bromophenyl)-5-methyl-9-(3-methylbutyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Smiles: CC(CCn1c2c(=O)[nH]c(=O)n(c2n2c1nnc2c1ccc(cc1)Br)C)C

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Molecular Weight: 431.29
Empirical Formula: C18H19BrN6O2

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 3.577
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 84
Number of rings: 4

     

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