COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK624257
Chemical Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[(2-chloro-7H-purin-6-yl)sulfanyl]propan-1-one
Smiles: O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)CCSc1nc(Cl)nc2c1[nH]cn2

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Molecular Weight: 460.94
Empirical Formula: C20H21ClN6O3S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 2.65
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 121
Number of rings: 5

     

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