COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561755
Chemical Name: ethylN-[(4-{[(2Z)-5-(ethylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]sulfamoyl}phenyl)carbamoyl]-3,3,3-trifluoro-2-(4-fluorophenyl)alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(c1ccc(cc1)F)NC(=O)Nc1ccc(cc1)S(=O)(=O)/N=c\1/[nH]nc(s1)SCC

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Molecular Weight: 607.63
Empirical Formula: C22H21F4N5O5S3

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 6.888
Rotatable bonds: 6
H-donors: 3
H-acceptors: 5
PSA: 197
Number of rings: 3

     

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