COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK195139
Chemical Name: methyl4-(4-benzylpiperazin-1-yl)-3-{[(2-chloro-5-nitrophenyl)carbonyl]amino}benzoate
Smiles: COC(=O)c1ccc(c(c1)NC(=O)c1cc(ccc1Cl)[N+](=O)[O-])N1CCN(CC1)Cc1ccccc1

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Molecular Weight: 508.96
Empirical Formula: C26H25ClN4O5

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.17
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 4

     

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