COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512438
Chemical Name: N-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}-beta-alanine
Smiles: OC(=O)CCNC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1

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Molecular Weight: 382.37
Empirical Formula: C20H18N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.64
Rotatable bonds: 6
H-donors: 3
H-acceptors: 6
PSA: 113
Number of rings: 3

     

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