COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK600818
Chemical Name: beta-hydroxy-N-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-nitrophenylalanine
Smiles: COc1cc(/C=C/C(=O)NC(C(c2cccc(c2)[N+](=O)[O-])O)C(=O)O)ccc1O

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Molecular Weight: 402.36
Empirical Formula: C19H18N2O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.422
Rotatable bonds: 10
H-donors: 4
H-acceptors: 8
PSA: 161
Number of rings: 2

     

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