COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL161200
Chemical Name: 3-(4-chlorophenyl)-5,7-dimethyl-9-(3-methylbutyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Smiles: CC(CCn1c2c(=O)n(C)c(=O)n(c2n2c1nnc2c1ccc(cc1)Cl)C)C

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Molecular Weight: 400.87
Empirical Formula: C19H21ClN6O2

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 4.11
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 75
Number of rings: 4

     

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