COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK245633
Chemical Name: 4-chloro-N-[2-(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Smiles: CCn1c(CCNC(=O)c2ccc(cc2)Cl)nnc1SCC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 473.94
Empirical Formula: C21H20ClN5O4S

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 4.225
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 148
Number of rings: 3

     

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