COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK097904
Chemical Name: (6Z)-2-ethyl-5-imino-6-{[1-(2-nitrobenzyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCc1nn2c(=NC(=O)/C(=C\c3cn(c4c3cccc4)Cc3ccccc3[N+](=O)[O-])/C2=N)s1

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Molecular Weight: 458.5
Empirical Formula: C23H18N6O3S

Physical State: Dry powder
Available Amount: 139 mg

Lipinsky:
logP: 3.134
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 144
Number of rings: 5

     

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