COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK195195
Chemical Name: methyl4-(4-benzylpiperazin-1-yl)-3-{[(4-methyl-3-nitrophenyl)carbonyl]amino}benzoate
Smiles: COC(=O)c1ccc(c(c1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])C)N1CCN(CC1)Cc1ccccc1

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Molecular Weight: 488.54
Empirical Formula: C27H28N4O5

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 4.401
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 4

     

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