COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472703
Chemical Name: methyl2-({(2E)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-(2-fluorobenzyl)-1H-pyrazol-4-yl]prop-2-enoyl}amino)thiophene-3-carboxylate
Smiles: N#C/C(=C\c1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccccc1F)/C(=O)Nc1sccc1C(=O)OC

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Molecular Weight: 546.58
Empirical Formula: C28H23FN4O5S

Physical State: Dry powder
Available Amount: 432 mg

Lipinsky:
logP: 5.803
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 143
Number of rings: 4

     

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