COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL558379
Chemical Name: 2-{[(E)-(4-{[5-(2,4-dichlorophenyl)-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)c2ccc(cc2Cl)Cl)sc2c1CCCC2

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Molecular Weight: 555.47
Empirical Formula: C24H16Cl2N6O2S2

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 8.006
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 177
Number of rings: 5

     

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