COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL304932
Chemical Name: (2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(4-bromophenyl)carbonyl]amino}prop-2-enoicacid
Smiles: Brc1ccc(cc1)C(=O)N/C(=C\c1ccc2c(c1)OCO2)/C(=O)O

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Molecular Weight: 390.19
Empirical Formula: C17H12BrNO5

Physical State: Dry powder
Available Amount: 79 mg

Lipinsky:
logP: 3.737
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 84
Number of rings: 3

     

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