COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL291104
Chemical Name: 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)(thiophen-2-ylmethyl)amino]phenyl3,4,5-trimethoxybenzoate
Smiles: COc1c(OC)cc(cc1OC)C(=O)Oc1ccc(cc1)N(C1=NS(=O)(=O)c2c1cccc2)Cc1cccs1

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Molecular Weight: 564.64
Empirical Formula: C28H24N2O7S2

Physical State: Dry powder
Available Amount: 1007 mg

Lipinsky:
logP: 4.323
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 132
Number of rings: 5

     

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