COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK740178
Chemical Name: ethyl2-({(2E)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C(=C/c2ccccc2OC(F)F)/C#N)sc2c1CCCC2

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Molecular Weight: 446.47
Empirical Formula: C22H20F2N2O4S

Physical State: Dry powder
Available Amount: 367 mg

Lipinsky:
logP: 7.197
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 3

     

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