COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559580
Chemical Name: (2E)-N-[(4-{[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]sulfamoyl}phenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
Smiles: CCc1n[nH]/c(=N\S(=O)(=O)c2ccc(cc2)NC(=S)NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])/s1

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Molecular Weight: 518.6
Empirical Formula: C20H18N6O5S3

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 3.462
Rotatable bonds: 2
H-donors: 3
H-acceptors: 5
PSA: 223
Number of rings: 3

     

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