COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL137009
Chemical Name: 2-chloro-N-{2-methyl-1-[5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]propyl}benzamide
Smiles: C=CCn1c(SCC(=O)Nc2cc(ccc2C)[N+](=O)[O-])nnc1C(C(C)C)NC(=O)c1ccccc1Cl

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Molecular Weight: 543.05
Empirical Formula: C25H27ClN6O4S

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 5.577
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 160
Number of rings: 3

     

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