COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK740170
Chemical Name: ethyl2-({(2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)Br)/C#N)sc2c1CCC(C2)C

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Molecular Weight: 539.45
Empirical Formula: C26H23BrN2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.818
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 120
Number of rings: 4

     

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