COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186794
Chemical Name: 2-{[5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-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-])nnc1CC(=O)Nc1ccc(c(c1)Cl)C

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Molecular Weight: 500.97
Empirical Formula: C22H21ClN6O4S

Physical State: Dry powder
Available Amount: 168 mg

Lipinsky:
logP: 5.313
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 160
Number of rings: 3

     

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