COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL322011
Chemical Name: 4-[3-methyl-2,6-dioxo-7-(1-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazin-1-ium
Smiles: O=c1[nH]c(=O)n(c2c1n(C(c1ccccc1)C)c(n2)N1CC[NH2+]CC1)C

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Saltdata: HOOCCH2CH(OH)COO-
Molecular Weight: 355.42
Empirical Formula: C18H23N6O2

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 0.769
Rotatable bonds: 1
H-donors: 3
H-acceptors: 2
PSA: 87
Number of rings: 4

     

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