COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK558055
Chemical Name: 1,1'-{6-hydroxy-6-methyl-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)cyclohex-3-ene-1,3-diyl}diethanone
Smiles: Cc1ccc(cc1)NC1=C(C(=O)C)C(C(C(C1)(C)O)C(=O)C)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 422.48
Empirical Formula: C24H26N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.996
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 112
Number of rings: 3

     

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