COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473356
Chemical Name: 4-{(1E)-2-cyano-3-[(4-methylbenzyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl2-chlorobenzoate
Smiles: CCOc1cc(ccc1OC(=O)c1ccccc1Cl)/C=C(/C(=O)NCc1ccc(cc1)C)\C#N

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Molecular Weight: 474.94
Empirical Formula: C27H23ClN2O4

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 5.621
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 3

     

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