COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK949494
Chemical Name: ethyl2-({(2E)-2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C(=C/c2cccn2c2ccc(cc2)[N+](=O)[O-])/C#N)sc2c1CCCC2

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Molecular Weight: 490.54
Empirical Formula: C25H22N4O5S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 7.604
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 158
Number of rings: 4

     

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