COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK179100
Chemical Name: 3-[(4-{(1E)-2-cyano-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-1-yl}phenoxy)methyl]benzoicacid
Smiles: N#C/C(=C\c1ccc(cc1)OCc1cccc(c1)C(=O)O)/C(=O)NCC1CCCO1

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Molecular Weight: 406.44
Empirical Formula: C23H22N2O5

Physical State: Dry powder
Available Amount: 331 mg

Lipinsky:
logP: 2.385
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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