COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL124038
Chemical Name: 2-chloro-N-{[5-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])nnc1CNC(=O)c1ccccc1Cl

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Molecular Weight: 486.94
Empirical Formula: C21H19ClN6O4S

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 4.081
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 160
Number of rings: 3

     

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