COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472747
Chemical Name: methyl2-({(2E)-3-[2-(benzyloxy)-3-methoxyphenyl]-2-cyanoprop-2-enoyl}amino)thiophene-3-carboxylate
Smiles: N#C/C(=C\c1cccc(c1OCc1ccccc1)OC)/C(=O)Nc1sccc1C(=O)OC

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Molecular Weight: 448.5
Empirical Formula: C24H20N2O5S

Physical State: Dry powder
Available Amount: 380 mg

Lipinsky:
logP: 6.337
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 3

     

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