COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK631298
Chemical Name: N~3~-(2-chloro-7H-purin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-beta-alaninamide
Smiles: COc1cc(CCNC(=O)CCNc2nc(Cl)nc3c2[nH]cn3)ccc1OC

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Molecular Weight: 404.86
Empirical Formula: C18H21ClN6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.022
Rotatable bonds: 8
H-donors: 3
H-acceptors: 3
PSA: 114
Number of rings: 3

     

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