COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK988485
Chemical Name: ethyl2-{[(2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(c(c2)OC)O)/C#N)sc2c1CCCC2

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Molecular Weight: 426.49
Empirical Formula: C22H22N2O5S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 6.24
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 136
Number of rings: 3

     

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