COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK630961
Chemical Name: [1-(2-chloro-7H-purin-6-yl)piperidin-4-yl](1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanone
Smiles: O=C(N1CC2(CC1CC(C2)(C)C)C)C1CCN(CC1)c1nc(Cl)nc2c1[nH]cn2

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Molecular Weight: 416.95
Empirical Formula: C21H29ClN6O

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 3.866
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 78
Number of rings: 5

     

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