COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK188933
Chemical Name: methyl3-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate
Smiles: COC(=O)c1ccc(c(c1)NC(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl)N1CCN(CC1)C(=O)c1ccccc1

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Molecular Weight: 548.98
Empirical Formula: C28H25ClN4O6

Physical State: Dry powder
Available Amount: 296 mg

Lipinsky:
logP: 3.696
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 124
Number of rings: 4

     

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