COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK398455
Chemical Name: 1-[4-bromo-1-(3,4-dichlorobenzyl)-1H-pyrazol-3-yl]-3-(3-nitrophenyl)thiourea
Smiles: S=C(Nc1nn(cc1Br)Cc1ccc(c(c1)Cl)Cl)Nc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 501.19
Empirical Formula: C17H12BrCl2N5O2S

Physical State: Dry powder
Available Amount: 193 mg

Lipinsky:
logP: 5.061
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 119
Number of rings: 3

     

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