COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK121220
Chemical Name: N-(4-nitrophenyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamide
Smiles: C=CCn1c2ccccc2c2c1nc(nn2)SC(C(=O)Nc1ccc(cc1)[N+](=O)[O-])CC

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Molecular Weight: 448.51
Empirical Formula: C22H20N6O3S

Physical State: Dry powder
Available Amount: 282 mg

Lipinsky:
logP: 5.457
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 143
Number of rings: 4

     

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