COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568495
Chemical Name: ethyl6-tert-butyl-2-({(E)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(N/C=C(/c2scc(n2)c2cccc(c2)[N+](=O)[O-])\C#N)sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 536.68
Empirical Formula: C27H28N4O4S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 9.23
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 177
Number of rings: 4

     

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