COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK139635
Chemical Name: 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])nnc1CCCOc1ccc(cc1Cl)Cl

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Molecular Weight: 522.41
Empirical Formula: C22H21Cl2N5O4S

Physical State: Dry powder
Available Amount: 163 mg

Lipinsky:
logP: 6.578
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 140
Number of rings: 3

     

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