COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK355513
Chemical Name: 3,4,5-trimethoxy-N-({4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}carbonothioyl)benzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)NC(=S)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)[N+](=O)[O-]

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Molecular Weight: 543.64
Empirical Formula: C26H33N5O6S

Physical State: Dry powder
Available Amount: 429 mg

Lipinsky:
logP: 4.694
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 144
Number of rings: 4

     

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