COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL304807
Chemical Name: N-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(furan-2-ylcarbonyl)amino]prop-2-enoyl}-beta-alanine
Smiles: OC(=O)CCNC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccco1

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Molecular Weight: 372.33
Empirical Formula: C18H16N2O7

Physical State: Dry powder
Available Amount: 225 mg

Lipinsky:
logP: 0.432
Rotatable bonds: 7
H-donors: 3
H-acceptors: 7
PSA: 127
Number of rings: 3

     

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