COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK474107
Chemical Name: (2E)-N-benzyl-2-cyano-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)Cn1ncc(c1)[N+](=O)[O-])OC)/C(=O)NCc1ccccc1

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Molecular Weight: 417.42
Empirical Formula: C22H19N5O4

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 2.878
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 125
Number of rings: 3

     

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