COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563739
Chemical Name: 4-[(1Z)-1-(2-{7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl}hydrazinylidene)ethyl]phenolate
Smiles: OC(Cn1c(N/N=C(\c2ccc(cc2)[O-])/C)[nH+]c2c1c(=O)n(c(=O)n2C)C)COc1ccccc1C

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Molecular Weight: 492.53
Empirical Formula: C25H28N6O5

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.587
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 136
Number of rings: 4

     

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