COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK232354
Chemical Name: N-{1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])C)nnc1C(NC(=O)c1ccccc1)C

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Molecular Weight: 480.55
Empirical Formula: C23H24N6O4S

Physical State: Dry powder
Available Amount: 172 mg

Lipinsky:
logP: 4.525
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 160
Number of rings: 3

     

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