COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL289876
Chemical Name: 3-chloro-N-[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide
Smiles: CCc1nnc2n1nc(s2)c1ccc(cc1)NC(=O)c1sc2c(c1Cl)cccc2[N+](=O)[O-]

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Molecular Weight: 484.95
Empirical Formula: C20H13ClN6O3S2

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 6.069
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 174
Number of rings: 5

     

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