COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK120182
Chemical Name: 3-[(4-nitrobenzyl)sulfanyl]-5-propyl-5H-[1,2,4]triazino[5,6-b]indole
Smiles: CCCn1c2ccccc2c2c1nc(SCc1ccc(cc1)[N+](=O)[O-])nn2

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Molecular Weight: 379.44
Empirical Formula: C19H17N5O2S

Physical State: Dry powder
Available Amount: 386 mg

Lipinsky:
logP: 4.737
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 114
Number of rings: 4

     

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