COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK830757
Chemical Name: N-[(1Z)-1-(1,3-benzodioxol-5-yl)-3-(diethylamino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Smiles: CCN(C(=O)/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1ccc(cc1)Br)CC

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Molecular Weight: 445.31
Empirical Formula: C21H21BrN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.927
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 67
Number of rings: 3

     

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