COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186796
Chemical Name: 4-methoxy-N-{1-[5-({2-[(4-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(cc2)[N+](=O)[O-])nnc1C(NC(=O)c1ccc(cc1)OC)C

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Molecular Weight: 496.55
Empirical Formula: C23H24N6O5S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 4.422
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 169
Number of rings: 3

     

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