COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK441981
Chemical Name: (2E)-N-(1,3-benzodioxol-5-yl)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1ccc(s1)Br)/C(=O)Nc1ccc2c(c1)OCO2

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Molecular Weight: 377.22
Empirical Formula: C15H9BrN2O3S

Physical State: Dry powder
Available Amount: 620 mg

Lipinsky:
logP: 4.318
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 99
Number of rings: 3

     

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