COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK444853
Chemical Name: (2E)-3-(1-butyl-1H-indol-3-yl)-2-cyano-N-(2-nitrophenyl)prop-2-enamide
Smiles: CCCCn1cc(c2c1cccc2)/C=C(/C(=O)Nc1ccccc1[N+](=O)[O-])\C#N

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Molecular Weight: 388.43
Empirical Formula: C22H20N4O3

Physical State: Dry powder
Available Amount: 340 mg

Lipinsky:
logP: 5.551
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 3

     

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