COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186608
Chemical Name: 3,4-dichloro-N-{[5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Smiles: C=CCn1c(SCC(=O)Nc2c(Cl)cc(cc2Cl)Cl)nnc1CNC(=O)c1ccc(c(c1)Cl)Cl

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Molecular Weight: 579.72
Empirical Formula: C21H16Cl5N5O2S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 6.215
Rotatable bonds: 8
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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