COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK362821
Chemical Name: 4-({2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-en-1-yl]-6-ethoxyphenoxy}methyl)benzoicacid
Smiles: CCOc1cc(/C=C(\C(=O)N2CCN(CC2)c2ccccc2)/C#N)cc(c1OCc1ccc(cc1)C(=O)O)Cl

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Molecular Weight: 546.02
Empirical Formula: C30H28ClN3O5

Physical State: Dry powder
Available Amount: 363 mg

Lipinsky:
logP: 5.067
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 103
Number of rings: 4

     

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