COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK462166
Chemical Name: (2E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc2OCOc2cc1[N+](=O)[O-])/C(=O)NCc1ccccn1

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Molecular Weight: 352.31
Empirical Formula: C17H12N4O5

Physical State: Dry powder
Available Amount: 202 mg

Lipinsky:
logP: 1.686
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 130
Number of rings: 3

     

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