COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL022370
Chemical Name: methyl2-{[(2Z)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: N#C/C(=C/c1ccc(c(c1)O)OC)/C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

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Molecular Weight: 412.47
Empirical Formula: C21H20N2O5S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 5.629
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 136
Number of rings: 3

     

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