COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472704
Chemical Name: methyl2-({(2E)-3-[1-benzyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoyl}amino)thiophene-3-carboxylate
Smiles: COc1ccc(cc1)c1nn(cc1/C=C(/C(=O)Nc1sccc1C(=O)OC)\C#N)Cc1ccccc1

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Molecular Weight: 498.56
Empirical Formula: C27H22N4O4S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.079
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 134
Number of rings: 4

     

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