COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL115806
Chemical Name: (2E)-2-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile
Smiles: CCCCc1ccc(cc1)c1csc(n1)/C(=C/c1cccc(c1)[N+](=O)[O-])/C#N

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Molecular Weight: 389.48
Empirical Formula: C22H19N3O2S

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 7.407
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 110
Number of rings: 3

     

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