COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL384126
Chemical Name: 2-{[(E)-{4-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(/N=C/c2ccc(c(c2)[N+](=O)[O-])Sc2nnc([nH]2)C)sc2c1CCCC2

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Molecular Weight: 424.51
Empirical Formula: C19H16N6O2S2

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 4.867
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 177
Number of rings: 4

     

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