COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL327730
Chemical Name: N-[(2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(2-methoxyphenyl)carbonyl]amino}prop-2-enoyl]-beta-alanine
Smiles: COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)/C(=O)NCCC(=O)O

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Molecular Weight: 412.4
Empirical Formula: C21H20N2O7

Physical State: Dry powder
Available Amount: 184 mg

Lipinsky:
logP: 1.37
Rotatable bonds: 8
H-donors: 3
H-acceptors: 7
PSA: 123
Number of rings: 3

     

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