COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL020977
Chemical Name: ethyl2-{[(2E)-3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino}-4-(4-methoxyphenyl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)OC)NC(=O)/C(=C/c1cc(Br)ccc1O)/C#N

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Molecular Weight: 527.4
Empirical Formula: C24H19BrN2O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.685
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 136
Number of rings: 3

     

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