COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK778519
Chemical Name: 3-[(7-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole
Smiles: C=CCn1c2ccccc2c2c1nc(nn2)Sc1cc2nsnc2c(c1)[N+](=O)[O-]

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Molecular Weight: 421.46
Empirical Formula: C18H11N7O2S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.439
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 168
Number of rings: 5

     

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