COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK259651
Chemical Name: N-{[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl}-2-nitrobenzamide
Smiles: CCCC(=O)N1CCN(CC1)c1ccc(cc1)NC(=S)NC(=O)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 455.54
Empirical Formula: C22H25N5O4S

Physical State: Dry powder
Available Amount: 612 mg

Lipinsky:
logP: 2.085
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 142
Number of rings: 3

     

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