COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK398880
Chemical Name: N-{[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]carbonothioyl}-2-nitrobenzamide
Smiles: S=C(N1CCN(CC1)c1c(F)c(F)c(c(c1F)F)Cl)NC(=O)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 476.84
Empirical Formula: C18H13ClF4N4O3S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 3.013
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 113
Number of rings: 3

     

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