COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK233000
Chemical Name: N-{4-[5-({1-[(3-nitrophenyl)amino]-1-oxobutan-2-yl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]phenyl}benzamide
Smiles: C=CCn1c(nnc1c1ccc(cc1)NC(=O)c1ccccc1)SC(C(=O)Nc1cccc(c1)[N+](=O)[O-])CC

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Molecular Weight: 542.62
Empirical Formula: C28H26N6O4S

Physical State: Dry powder
Available Amount: 120 mg

Lipinsky:
logP: 6.799
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 160
Number of rings: 4

     

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