COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK047214
Chemical Name: (2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/C(=O)Nc1cc(ccc1C)[N+](=O)[O-]

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Molecular Weight: 435.52
Empirical Formula: C25H29N3O4

Physical State: Dry powder
Available Amount: 359 mg

Lipinsky:
logP: 7.072
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 118
Number of rings: 2

     

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