COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK115676
Chemical Name: 4-chloro-N-{[4-methyl-5-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Smiles: O=C(Nc1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1C)CNC(=O)c1ccc(cc1)Cl

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Molecular Weight: 460.9
Empirical Formula: C19H17ClN6O4S

Physical State: Dry powder
Available Amount: 172 mg

Lipinsky:
logP: 3.806
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 160
Number of rings: 3

     

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