COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL327058
Chemical Name: diethyl6-hydroxy-6-methyl-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)C)CC(C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCC)(C)O

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Molecular Weight: 482.53
Empirical Formula: C26H30N2O7

Physical State: Dry powder
Available Amount: 121 mg

Lipinsky:
logP: 5.345
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 130
Number of rings: 3

     

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