COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473568
Chemical Name: (2E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1cc(OC)c(cc1Br)O)/C(=O)NCc1ccc2c(c1)OCO2

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Molecular Weight: 431.24
Empirical Formula: C19H15BrN2O5

Physical State: Dry powder
Available Amount: 38 mg

Lipinsky:
logP: 3.596
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 100
Number of rings: 3

     

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