COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK540668
Chemical Name: 3-{4-[(5E)-5-(2-butoxybenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}propanenitrile
Smiles: CCCCOc1ccccc1/C=C\1/SC(=NC1=O)N1CCN(CC1)CCC#N

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Molecular Weight: 398.53
Empirical Formula: C21H26N4O2S

Physical State: Dry powder
Available Amount: 251 mg

Lipinsky:
logP: 3.082
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 94
Number of rings: 3

     

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