COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL333825
Chemical Name: dimethyl2-[(4-chlorophenyl)carbonyl]-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate
Smiles: COC(=O)C1(C(=O)OC)C(C1(CC)C(=O)c1ccc(cc1)Cl)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 445.86
Empirical Formula: C22H20ClNO7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.601
Rotatable bonds: 6
H-donors: 0
H-acceptors: 7
PSA: 115
Number of rings: 3

     

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