COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK845352
Chemical Name: (2E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\N1CCN(CC1)Cc1ccc2c(c1)OCO2)/c1nc2c(s1)cccc2

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Molecular Weight: 404.49
Empirical Formula: C22H20N4O2S

Physical State: Dry powder
Available Amount: 396 mg

Lipinsky:
logP: 4.135
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 89
Number of rings: 5

     

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