COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK248453
Chemical Name: 4-(benzyloxy)-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)benzamide
Smiles: S=C(N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)NC(=O)c1ccc(cc1)OCc1ccccc1

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Molecular Weight: 544.55
Empirical Formula: C26H23F3N4O4S

Physical State: Dry powder
Available Amount: 387 mg

Lipinsky:
logP: 6.095
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 122
Number of rings: 4

     

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