COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK041311
Chemical Name: (2E)-N-(4-chloro-3-nitrophenyl)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/C(=O)Nc1ccc(c(c1)[N+](=O)[O-])Cl

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Molecular Weight: 455.94
Empirical Formula: C24H26ClN3O4

Physical State: Dry powder
Available Amount: 226 mg

Lipinsky:
logP: 7.394
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 118
Number of rings: 2

     

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