COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK620721
Chemical Name: N~3~-(2-chloro-7H-purin-6-yl)-N-[4-(trifluoromethoxy)phenyl]-beta-alaninamide
Smiles: O=C(Nc1ccc(cc1)OC(F)(F)F)CCNc1nc(Cl)nc2c1[nH]cn2

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Molecular Weight: 400.75
Empirical Formula: C15H12ClF3N6O2

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 3.292
Rotatable bonds: 3
H-donors: 3
H-acceptors: 2
PSA: 104
Number of rings: 3

     

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