COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473578
Chemical Name: ethyl2-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-2-cyanoprop-2-enoyl]amino}-5-(propan-2-yl)thiophene-3-carboxylate
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)Cl)/C=C(/C(=O)Nc1sc(cc1C(=O)OCC)C(C)C)\C#N

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Molecular Weight: 553.08
Empirical Formula: C29H29ClN2O5S

Physical State: Dry powder
Available Amount: 443 mg

Lipinsky:
logP: 9.274
Rotatable bonds: 10
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 3

     

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