COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK454369
Chemical Name: 1-[1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-3-(3-nitrophenyl)thiourea
Smiles: S=C(Nc1ncn(n1)Cc1ccc(c(c1)Cl)Cl)Nc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 423.28
Empirical Formula: C16H12Cl2N6O2S

Physical State: Dry powder
Available Amount: 616 mg

Lipinsky:
logP: 4.232
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 132
Number of rings: 3

     

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