COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK110019
Chemical Name: 2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(4-methylphenyl)amino]ethyl4-(diethylsulfamoyl)benzoate
Smiles: CCN(S(=O)(=O)c1ccc(cc1)C(=O)OCCN(C1=NS(=O)(=O)c2c1cccc2)c1ccc(cc1)C)CC

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Molecular Weight: 555.68
Empirical Formula: C27H29N3O6S2

Physical State: Dry powder
Available Amount: 1358 mg

Lipinsky:
logP: 5.524
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 122
Number of rings: 4

     

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