COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK528561
Chemical Name: (2E)-3-[(3-butoxyphenyl)amino]-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCCCOc1cccc(c1)N/C=C(/c1scc(n1)c1ccc(cc1Cl)Cl)\C#N

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Molecular Weight: 444.38
Empirical Formula: C22H19Cl2N3OS

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 7.266
Rotatable bonds: 6
H-donors: 1
H-acceptors: 1
PSA: 86
Number of rings: 3

     

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