COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK984366
Chemical Name: 2-({(E)-[3-nitro-4-(4H-1,2,4-triazol-3-ylsulfanyl)phenyl]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)sc2c1CCCC2

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Molecular Weight: 410.48
Empirical Formula: C18H14N6O2S2

Physical State: Dry powder
Available Amount: 248 mg

Lipinsky:
logP: 4.614
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 177
Number of rings: 4

     

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