COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK997591
Chemical Name: N-[(2E)-3-(4-methoxyphenyl)-2-{[(2E)-3-phenylprop-2-enoyl]amino}prop-2-enoyl]-beta-alanine
Smiles: COc1ccc(cc1)/C=C(\C(=O)NCCC(=O)O)/NC(=O)/C=C/c1ccccc1

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Molecular Weight: 394.43
Empirical Formula: C22H22N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.803
Rotatable bonds: 6
H-donors: 3
H-acceptors: 5
PSA: 104
Number of rings: 2

     

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