COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK631620
Chemical Name: 7-(3-bromobenzyl)-6-hydroxy-3-methyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-2H-purin-2-one
Smiles: Brc1cccc(c1)Cn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nc2c1c(O)nc(=O)n2C

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Molecular Weight: 530.36
Empirical Formula: C21H16BrN5O5S

Physical State: Dry powder
Available Amount: 170 mg

Lipinsky:
logP: 4.061
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 158
Number of rings: 4

     

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