COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050257
Chemical Name: (8Z)-1-(4-chlorobenzyl)-3,7-dimethyl-8-[(2E)-(4-phenylbutan-2-ylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n(C)/c(=N\N=C(\CCc1ccccc1)/C)/[nH]2

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Molecular Weight: 464.95
Empirical Formula: C24H25ClN6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.908
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 80
Number of rings: 4

     

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