COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK003311
Chemical Name: N-[(1Z)-3-amino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Smiles: Brc1ccc(cc1)C(=O)N/C(=C\c1ccc2c(c1)OCO2)/C(=O)N

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Molecular Weight: 389.21
Empirical Formula: C17H13BrN2O4

Physical State: Dry powder
Available Amount: 650 mg

Lipinsky:
logP: 2.678
Rotatable bonds: 2
H-donors: 3
H-acceptors: 4
PSA: 90
Number of rings: 3

     

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