COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK382006
Chemical Name: 2-methylpropyl(2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(3-bromophenyl)carbonyl]amino}prop-2-enoate
Smiles: CC(COC(=O)/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1cccc(c1)Br)C

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Molecular Weight: 446.3
Empirical Formula: C21H20BrNO5

Physical State: Dry powder
Available Amount: 175 mg

Lipinsky:
logP: 4.943
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 73
Number of rings: 3

     

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