COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK582943
Chemical Name: 7-(3-hydroxypropyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCn1c(CN2CCN(CC2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 412.49
Empirical Formula: C21H28N6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.588
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 85
Number of rings: 4

     

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