COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL477966
Chemical Name: ethyl2-({(2Z)-2-cyano-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C(=C\c2ccc(cc2)C(C)C)/C#N)sc2c1CCC(C2)C

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Molecular Weight: 436.58
Empirical Formula: C25H28N2O3S

Available Amount: 0 mg

Lipinsky:
logP: 8.843
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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