COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK444854
Chemical Name: (2E)-3-[1-(3-chlorobenzyl)-1H-indol-3-yl]-2-cyano-N-(2-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cn(c2c1cccc2)Cc1cccc(c1)Cl)/C(=O)Nc1ccccc1[N+](=O)[O-]

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Molecular Weight: 456.89
Empirical Formula: C25H17ClN4O3

Physical State: Dry powder
Available Amount: 615 mg

Lipinsky:
logP: 6.259
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 4

     

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