COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK072013
Chemical Name: 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1Cn1c(NCc2ccc3c(c2)OCO3)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 453.88
Empirical Formula: C22H20ClN5O4

Physical State: Dry powder
Available Amount: 362 mg

Lipinsky:
logP: 4.139
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 5

     

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