COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK181110
Chemical Name: 2-[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl(2,4-dichlorophenoxy)acetate
Smiles: O=C(COc1ccc(cc1Cl)Cl)OCCN1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2

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Molecular Weight: 498.39
Empirical Formula: C21H21Cl2N3O5S

Physical State: Dry powder
Available Amount: 1015 mg

Lipinsky:
logP: 2.777
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 89
Number of rings: 4

     

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