COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK691648
Chemical Name: diprop-2-en-1-yl6-hydroxy-6-methyl-2-(3-nitrophenyl)-4-[(2-phenylethyl)amino]cyclohex-3-ene-1,3-dicarboxylate
Smiles: C=CCOC(=O)C1=C(NCCc2ccccc2)CC(C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCC=C)(C)O

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Molecular Weight: 520.58
Empirical Formula: C29H32N2O7

Physical State: Dry powder
Available Amount: 8 mg

Lipinsky:
logP: 6.238
Rotatable bonds: 12
H-donors: 2
H-acceptors: 7
PSA: 130
Number of rings: 3

     

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