COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK355514
Chemical Name: 3-butoxy-N-({4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}carbonothioyl)benzamide
Smiles: CCCCOc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)[N+](=O)[O-]

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Molecular Weight: 525.67
Empirical Formula: C27H35N5O4S

Physical State: Dry powder
Available Amount: 515 mg

Lipinsky:
logP: 6.263
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 125
Number of rings: 4

     

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