COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK217498
Chemical Name: dimethyl5-[({1-[(4-fluorophenyl)carbonyl]-3-oxopiperazin-2-yl}acetyl)amino]benzene-1,3-dicarboxylate
Smiles: COC(=O)c1cc(NC(=O)CC2C(=O)NCCN2C(=O)c2ccc(cc2)F)cc(c1)C(=O)OC

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Molecular Weight: 471.44
Empirical Formula: C23H22FN3O7

Physical State: Dry powder
Available Amount: 403 mg

Lipinsky:
logP: 0.804
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 131
Number of rings: 3

     

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