COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK949492
Chemical Name: ethyl2-{[(2E)-3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C(=C/c2cc(Br)ccc2O)/C#N)sc2c1CCCC2

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Molecular Weight: 475.36
Empirical Formula: C21H19BrN2O4S

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 8.098
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 127
Number of rings: 3

     

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