COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472680
Chemical Name: methyl2-({(2E)-2-cyano-3-[3-(4-ethylphenyl)-1H-pyrazol-4-yl]prop-2-enoyl}amino)-5-phenylthiophene-3-carboxylate
Smiles: N#C/C(=C\c1c[nH]nc1c1ccc(cc1)CC)/C(=O)Nc1sc(cc1C(=O)OC)c1ccccc1

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Molecular Weight: 482.56
Empirical Formula: C27H22N4O3S

Physical State: Dry powder
Available Amount: 178 mg

Lipinsky:
logP: 7.677
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 136
Number of rings: 4

     

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