COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK434357
Chemical Name: methyl2-({(2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyanoprop-2-enoyl}amino)-5-methylthiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCc1ccccc1)/C(=O)Nc1sc(cc1C(=O)OC)C

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Molecular Weight: 462.53
Empirical Formula: C25H22N2O5S

Physical State: Dry powder
Available Amount: 943 mg

Lipinsky:
logP: 6.737
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 3

     

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