COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL023017
Chemical Name: ethyl2-{[(2Z)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C(=C\c2ccc(c(c2)OC)OC)/C#N)sc2c1CCC(C2)C

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Molecular Weight: 454.55
Empirical Formula: C24H26N2O5S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 7.331
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 3

     

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