COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK703883
Chemical Name: (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide
Smiles: CCCOc1ccc(c(c1)C)c1nn(cc1/C=C(/C(=O)NC1CCS(=O)(=O)C1)\C#N)c1ccccc1

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Molecular Weight: 504.61
Empirical Formula: C27H28N4O4S

Physical State: Dry powder
Available Amount: 401 mg

Lipinsky:
logP: 3.382
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 122
Number of rings: 4

     

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