COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK627456
Chemical Name: N~3~-(2-chloro-7H-purin-6-yl)-N-[2-(1H-imidazol-4-yl)ethyl]-beta-alaninamide
Smiles: O=C(CCNc1nc(Cl)nc2c1[nH]cn2)NCCc1c[nH]cn1

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Molecular Weight: 334.77
Empirical Formula: C13H15ClN8O

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: -0.094
Rotatable bonds: 6
H-donors: 4
H-acceptors: 1
PSA: 124
Number of rings: 3

     

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