COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568280
Chemical Name: (8E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-[(2E)-(pyridin-3-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1Cn1c(=O)c2n(C)/c(=N/N=C/c3cccnc3)/[nH]c2n(c1=O)C

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Molecular Weight: 423.86
Empirical Formula: C20H18ClN7O2

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 2.527
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 93
Number of rings: 4

     

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