COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL286994
Chemical Name: 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)(thiophen-2-ylmethyl)amino]phenyl(4-methylphenoxy)acetate
Smiles: O=C(Oc1ccc(cc1)N(C1=NS(=O)(=O)c2c1cccc2)Cc1cccs1)COc1ccc(cc1)C

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Molecular Weight: 518.61
Empirical Formula: C27H22N2O5S2

Physical State: Dry powder
Available Amount: 352 mg

Lipinsky:
logP: 4.175
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 114
Number of rings: 5

     

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