COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK090407
Chemical Name: 2-{[(5-methyl-8-nitro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
Smiles: [O-][N+](=O)c1ccc2c(c1)c1nnc(nc1n2C)SCN1C(=O)c2c(C1=O)cccc2

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Molecular Weight: 420.41
Empirical Formula: C19H12N6O4S

Physical State: Dry powder
Available Amount: 434 mg

Lipinsky:
logP: 3.376
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 152
Number of rings: 5

     

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