COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK219163
Chemical Name: 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone
Smiles: CCn1c(CCCOc2ccc(cc2Cl)Cl)nnc1SCC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 495.39
Empirical Formula: C21H20Cl2N4O4S

Physical State: Dry powder
Available Amount: 182 mg

Lipinsky:
logP: 6.002
Rotatable bonds: 10
H-donors: 0
H-acceptors: 4
PSA: 128
Number of rings: 3

     

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