COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK629035
Chemical Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][1-(2-chloro-7H-purin-6-yl)piperidin-4-yl]methanone
Smiles: O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)C1CCN(CC1)c1nc(Cl)nc2c1[nH]cn2

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Molecular Weight: 483.96
Empirical Formula: C23H26ClN7O3

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 2.224
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 99
Number of rings: 6

     

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