COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL477084
Chemical Name: 2-[(4-nitrophenyl)amino]-2-oxoethyl[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
Smiles: CCn1c2ccccc2c2c1nc(SCC(=O)OCC(=O)Nc1ccc(cc1)[N+](=O)[O-])nn2

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Molecular Weight: 466.48
Empirical Formula: C21H18N6O5S

Physical State: Dry powder
Available Amount: 119 mg

Lipinsky:
logP: 4.685
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 170
Number of rings: 4

     

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